@text METHIONINE SYNTHASE BRYAN JACOBS ARMSTRONG ATLANTIC STATE UNIVERSITY SUBMITTED 12/11/00 PBD FILE 1MSK KINEMAGE 1:METHIONINE SYNTHASE/BACKBONE (ACTIVATION DOMAIN) KINEMAGE 2:METHIONINE SYNTHASE/RIBBONS (ANIMATE) KINEMAGE 3:METHIONINE SYNTHASE/HBONDS OF MAINCHAIN BACKGROUND(1): In mammals, B12-dependent methionine synthase catalyzes methyl transfer from methyltetrahydrofolate to homocysteine. 5-METHYLTETRAHYDROFOLATE + L-HOMOCYSTEINE = TETRAHYDROFOLATE + L-METHIONINE The B12 (cobalamin) cofactor accepts the methyl group from methyltetrahydrofolate to form methylcob(III)alamin and then donates the methyl group to homocysteine to yield methionine and cob(I)alamin. Insufficient availability of cobalamin, or inhibition of methionine synthase by exposure to nitrous oxide, leads to diminished activity of this enzyme (2). Reactivation to sustain enzyme activity is achieved by a reductive methylation, requiring S-adenosylmethionine (SAM) as the methyl donor. The intact system is controlled and organized so that SAM, rather than methyltetrahydrofolate, is the methyl donor in the reactive reaction. SAM is not wasted as a methyl donor in the catalytic cycle in which methionine is synthesized from homocysteine. The structures of the SAM binding site and the cobalamin-binding domains provide starting points for understanding the methyl transfer reactions of methionine synthase. The methionine synthase (activation domain) Kinemage structure consists of the C-terminal fragment of E-coli methionine synthase comprising of the SAM-binding site and is essential for reactivation. The structure (residues 901-1227 of methionine synthase)is a C-shaped single domain whose central feature is a bent antiparallel betasheet. SAM binds near the center of the surface of the domain and is held together by side chain and backbone interactions. The sequence Arg1134-x-x-x-GLY-TYR1139 is critical for the binding of SAM to methionine synthase. The position of bound SAM suggests that large areas of the C-terminal and cobalamin-binding fragments must come in contact in order to transfer the methyl group of SAM to cobalamin. The catalytic and activation cycles may be turned on and off by changing the physical separation and approach of the reactants. RESEARCH APPLICATION(2): In humans, severe inhibition of methionine synthase results in the development of megaloblastic anemia, and eventually in subacute combined degeneration of the spinal cord . It also results in diminished intracellular folate levels and a redistribution of folate derivatives. Because the inhibition of mammalian methionine synthase can restrict the incorporation of methyltetrahydrofolate from blood into cellular folate pools that can be used for biosynthesis, it is a potential chemotherapeutic target. KINEMAGE 1:METHIONINE SYNTHASE (ACTIVATION DOMAIN). View1 consists of an overview of the activation domain where the locations of the heterogroups, sidechain interactions and general structures are in relation to each other. One can easily see the overall C-shape of the fragment and that the SAM molecule lies in the "pocket" of the C-shape. If one rotates the kinemage, it can be seen that the acetate ion is roughly 180 degrees horizontally from SAM. View2 shows the SAM-bonding site where tyrosine and argenine residues H-bond to SAM. If one rotates to where you are looking down upon the SAM-bonding site, it shows that Arg, SAM and Tyr are aligned in a vertical row. View3 shows a close-up of the acetate ion. View4 Shows a detailed look at the SAM-binding area. Arg and Tyr are involved in H-bonds with SAM (o4* SAM-oh tyr 1139; 03* sam-nh2 arg 1134). View5 shows a birds-eye view of an alpha-helix. View6 shows beta-sheets of the enzyme. KINEMAGE 2:RIBBONS (ANIMATE) This kinemage combines kinemage 1 with a ribbons view to get a different perspective of methionine synthase. The views in this kinemage remained the same as the first non-ribbon kinemage. KINEMAGE 3:METHIONINE SYNTHASE/HBONDS OF MAINCHAIN This is a kinemage of the mainchain,its Hbonds, and heterogroups. Views 1-6 are the same as kinemages 1 and 2. View7 is a close-up view of the alpha-helix. From this view it is easy to see that the H-bonds hold the structure together as well as in beta-sheets. View8 is a close-up view of the specificity pocket with labeled residues and hetatom (SAM). Also in this view the methyl group that is used in methionine synthesis from homocysteine can be seen. REFERENCES AND NOTES 1. Background consists almost entirely from: Dixon MM, Huang S, Matthews RG, Ludwig M, Structure 1996 Nov 15;4(11):1263-75 2. Research Applications entirely from: RV Banerjee, RG Matthews, FASEB Journal vol.4, 1450-59 (1990) All kinemage coordinates from file: 1MSK.pdb HEADER METHYLTRANSFERASE 03-AUG-96 1MSK TITLE METHIONINE SYNTHASE (ACTIVATION DOMAIN) KEYWDS METHYLTRANSFERASE, TRANSFERASE, METHIONINE BIOSYNTHESIS, KEYWDS 2 VITAMIN B12 AUTHOR M.M.DIXON,S.HUANG,R.G.MATTHEWS,M.L.LUDWIG coordinates from file: 1MSK.pdb HEADER METHYLTRANSFERASE 03-AUG-96 1MSK TITLE METHIONINE SYNTHASE (ACTIVATION DOMAIN) KEYWDS METHYLTRANSFERASE, TRANSFERASE, METHIONINE BIOSYNTHESIS, KEYWDS 2 VITAMIN B12 AUTHOR M.M.DIXON,S.HUANG,R.G.MATTHEWS,M.L.LUDWIG @kinemage 1 @caption Kinemage 1 consists of a backbone view of the activation domain of methionine synthase, a vitamen B12 dependent enzyme that catalyzes the methyl transfer from methyltetrahydrofolate to homocysteine. The s-adenosyl methionine binding site is a focus in this kinemage.blue balls= Nitrogen, Red ball= Oxygen. @onewidth @viewid {Overview} @zoom 1.11 @zslab 200 @ztran 0 @center 5.658 12.110 18.789 @matrix 0.308402 -0.231555 0.922643 -0.218164 0.926851 0.305534 -0.925901 -0.295515 0.235326 @2viewid {SAMbondSite} @2zoom 1.58 @2zslab 208 @2ztran 0 @2center 5.658 12.110 18.789 @2matrix -0.102896 -0.008318 0.994657 -0.322523 0.946219 -0.025451 -0.940952 -0.323419 -0.100044 @3viewid {Acetate Ion} @3zoom 1.83 @3zslab 230 @3ztran 0 @3center 5.658 12.110 18.789 @3matrix 0.959736 -0.110408 -0.258297 0.278628 0.490957 0.825426 0.035679 -0.864160 0.501951 @4viewid {SAM/scClose} @4zoom 2.89 @4zslab 188 @4ztran 0 @4center 5.658 12.110 18.789 @4matrix -0.709505 -0.660064 0.246814 -0.299279 0.599320 0.742459 -0.637992 0.452913 -0.622765 @5viewid {alphaHelix} @5zoom 1.77 @5zslab 520 @5ztran 0 @5center 10.532 21.261 35.826 @5matrix -0.920515 0.146346 -0.362263 0.133218 0.989201 0.061106 0.367293 0.007990 -0.930071 @6viewid {BetaSheets} @6zoom 1.70 @6zslab 62 @6ztran 0 @6center -6.087 19.514 25.442 @6matrix -0.204230 0.490270 -0.847305 0.517573 -0.680597 -0.518561 -0.830908 -0.544447 -0.114753 @master {Calphas} @master {hets} @master {sidechain} @master {atoms} @group {Activ.Dom.} @subgroup {mainchain} @vectorlist {Calphas} color= sky nobutton master= {Calphas} { ca thr 901 B48.07}P 21.660 -7.499 14.076 {"}21.660 -7.499 14.076 { ca pro 902 B43.29}20.361 -10.850 15.514 { ca pro 903 B34.32}17.225 -10.485 17.621 { ca val 904 B25.23}17.298 -11.364 21.303 { ca thr 905 B21.95}14.614 -13.051 23.389 { ca leu 906 B19.78}12.112 -10.730 25.063 { ca glu 907 B24.56}13.654 -11.868 28.364 { ca ala 908 B21.12}17.190 -10.897 27.396 { ca ala 909 B17.49}15.721 -7.636 26.035 { ca arg 910 B18.34}14.060 -6.936 29.389 { ca asp 911 B24.63}17.219 -7.891 31.179 { ca asn 912 B21.09}19.131 -5.227 29.235 { ca asp 913 B21.30}16.736 -2.349 30.110 { ca phe 914 B22.98}17.728 1.281 30.768 { ca ala 915 B25.80}20.029 1.247 33.910 { ca phe 916 B24.14}19.498 4.253 36.170 { ca asp 917 B27.13}19.715 4.776 39.963 { ca trp 918 B25.63}16.094 5.420 41.015 { ca gln 919 B32.88}16.754 5.439 44.763 { ca ala 920 B27.88}19.067 8.401 44.204 { ca tyr 921 B22.23}16.600 10.332 41.884 { ca thr 922 B23.33}13.507 12.275 42.762 { ca pro 923 B13.99}11.355 12.700 39.591 { ca pro 924 B9.98}10.008 16.299 39.302 { ca val 925 B7.75}6.497 16.609 40.639 { ca ala 926 B9.71}3.825 17.796 38.199 { ca his 927 B9.56}2.542 21.170 39.394 { ca arg 928 B4.59}-0.859 20.970 37.698 { ca leu 929 B9.12}-2.276 17.461 37.696 { ca gly 930 B7.58}-5.398 16.898 35.741 { ca val 931 B13.10}-6.796 17.676 32.295 { ca gln 932 B14.35}-6.866 21.233 30.902 { ca glu 933 B15.29}-8.427 22.394 27.633 { ca val 934 B13.39}-6.087 24.845 25.934 { ca glu 935 B21.18}-6.009 27.275 23.116 { ca ala 936 B17.23}-3.561 29.301 21.166 { ca ser 937 B13.07}-4.063 32.067 18.629 { ca ile 938 B12.29}-2.580 32.037 15.182 { ca glu 939 B13.94}-0.569 35.111 16.164 { ca thr 940 B11.31}1.137 33.379 19.108 { ca leu 941 B13.18}1.635 30.215 17.119 { ca arg 942 B14.55}3.446 31.948 14.208 { ca asn 943 B17.88}6.439 32.493 16.498 { ca tyr 944 B16.86}6.683 28.723 16.885 { ca ile 945 B12.50}6.399 27.746 13.194 { ca asp 946 B15.99}9.260 25.634 11.827 { ca trp 947 B17.95}9.209 26.671 8.174 { ca thr 948 B21.40}11.596 24.076 6.699 { ca pro 949 B22.18}8.911 21.440 6.399 { ca phe 950 B19.91}6.575 23.968 4.545 { ca phe 951 B25.20}9.167 24.489 1.807 { ca met 952 B35.87}9.654 20.748 1.527 { ca thr 953 B38.29}5.806 20.605 0.992 { ca trp 954 B38.31}6.451 22.871 -2.079 { ca ser 955 B41.57}9.228 20.514 -3.223 { ca leu 956 B40.26}11.921 23.000 -2.338 { ca ala 957 B38.65}15.118 22.006 -0.655 { ca gly 958 B39.73}16.855 24.165 1.808 { ca lys 959 B41.39}16.379 25.120 5.393 { ca tyr 960 B38.84}14.536 28.255 6.374 { ca pro 961 B41.32}15.749 31.143 6.341 { ca arg 962 B44.29}18.731 30.475 4.038 { ca ile 963 B38.42}16.311 29.113 1.500 { ca leu 964 B41.17}14.915 32.665 0.940 { ca glu 965 B51.09}18.464 33.568 -0.159 { ca asp 966 B53.28}19.032 30.725 -2.718 { ca glu 967 B55.27}19.945 32.270 -6.105 { ca val 968 B47.75}17.836 29.773 -7.985 { ca val 969 B38.37}14.836 28.745 -5.892 { ca gly 970 B31.13}15.089 31.775 -3.591 { ca val 971 B22.01}12.627 33.809 -5.529 { ca glu 972 B23.26}9.962 31.117 -5.691 { ca ala 973 B22.87}10.480 30.404 -1.987 { ca gln 974 B26.48}9.981 34.161 -1.154 { ca arg 975 B26.79}6.753 34.184 -3.177 { ca leu 976 B23.46}5.509 31.104 -1.331 { ca phe 977 B19.74}6.490 32.494 2.052 { ca lys 978 B23.05}4.786 35.876 1.294 { ca asp 979 B19.52}1.670 34.124 0.235 { ca ala 980 B15.53}1.983 31.791 3.277 { ca asn 981 B15.77}2.180 34.813 5.567 { ca asp 982 B17.57}-0.662 36.826 3.948 { ca met 983 B16.31}-3.010 33.786 4.257 { ca leu 984 B14.90}-2.042 33.474 7.960 { ca asp 985 B17.17}-2.867 37.207 8.376 { ca lys 986 B18.40}-6.238 36.511 6.835 { ca leu 987 B18.40}-7.187 33.420 8.893 { ca ser 988 B19.33}-5.914 35.314 11.954 { ca ala 989 B22.83}-8.031 38.351 11.109 { ca glu 990 B24.95}-11.162 36.486 10.136 { ca lys 991 B24.22}-10.742 33.850 12.870 { ca thr 992 B23.12}-11.461 31.177 10.233 { ca leu 993 B16.98}-9.012 28.486 11.363 { ca asn 994 B14.60}-8.986 28.076 15.163 { ca pro 995 B11.42}-6.350 25.872 16.835 { ca arg 996 B14.52}-7.702 23.756 19.769 { ca gly 997 B9.71}-5.993 21.370 22.167 { ca val 998 B8.04}-6.087 19.514 25.442 { ca val 999 B4.36}-3.279 18.603 27.846 { ca gly 1000 B6.58}-3.179 16.416 30.924 { ca leu 1001 B7.73}-0.721 15.338 33.603 { ca phe 1002 B7.12}-1.085 12.124 35.678 { ca pro 1003 B4.71}0.575 10.169 38.497 { ca ala 1004 B6.95}2.270 7.168 36.847 { ca asn 1005 B3.96}4.720 4.337 37.469 { ca arg 1006 B6.67}6.442 1.745 35.354 { ca val 1007 B10.38}5.545 -1.974 35.770 { ca gly 1008 B12.32}7.409 -3.993 33.204 { ca asp 1009 B8.82}7.282 -2.605 29.687 { ca asp 1010 B8.25}4.116 -0.641 30.520 { ca ile 1011 B6.08}3.141 2.514 32.343 { ca glu 1012 B5.16}0.375 2.410 34.850 { ca ile 1013 B7.74}-1.626 5.717 35.143 { ca tyr 1014 B8.67}-3.367 6.260 38.413 { ca arg 1015 B13.61}-6.574 7.936 39.377 { ca asp 1016 B11.29}-4.693 9.855 42.066 { ca glu 1017 B11.27}-1.748 10.157 44.343 { ca thr 1018 B16.15}-2.755 7.223 46.584 { ca arg 1019 B12.99}-1.840 5.261 43.455 { ca thr 1020 B17.61}-4.204 2.414 44.256 { ca his 1021 B17.53}-6.515 2.591 41.209 { ca val 1022 B14.29}-5.179 2.289 37.671 { ca ile 1023 B12.75}-7.399 4.314 35.332 { ca asn 1024 B13.06}-5.452 3.337 32.182 { ca val 1025 B10.18}-2.217 1.750 31.043 { ca ser 1026 B10.36}0.209 3.093 28.451 { ca his 1027 B8.59}1.701 0.024 26.720 { ca his 1028 B10.84}5.153 0.092 25.181 { ca leu 1029 B11.93}7.480 -2.070 23.083 { ca arg 1030 B9.34}11.090 -2.808 23.670 { ca gln 1031 B15.37}13.906 -2.891 21.080 { ca gln 1032 B22.55}14.574 -6.552 20.295 { ca thr 1033 B31.18}18.107 -6.753 18.763 { ca glu 1034 B41.85}21.424 -7.490 20.354 { ca lys 1035 B51.83}22.527 -4.135 21.770 { ca thr 1036 B57.36}26.184 -3.341 22.426 { ca gly 1037 B50.19}26.648 -1.336 25.637 { ca phe 1038 B40.47}23.325 0.284 25.180 { ca ala 1039 B28.54}20.203 -0.787 26.872 { ca asn 1040 B21.21}17.365 -2.319 24.918 { ca tyr 1041 B16.77}15.185 0.765 25.188 { ca cys 1042 B10.03}11.495 0.846 25.975 { ca leu 1043 B10.61}9.822 4.163 26.747 { ca ala 1044 B11.40}8.541 2.715 30.056 { ca asp 1045 B10.62}12.133 2.726 31.396 { ca phe 1046 B10.91}12.140 6.495 31.733 { ca val 1047 B8.44}9.370 6.412 34.343 { ca ala 1048 B8.60}10.151 5.188 37.960 { ca pro 1049 B9.64}9.282 1.545 38.565 { ca lys 1050 B12.55}6.424 1.094 40.950 { ca leu 1051 B16.42}8.861 -1.086 42.818 { ca ser 1052 B15.28}11.177 1.892 43.538 { ca gly 1053 B15.43}8.486 3.621 45.581 { ca lys 1054 B15.08}9.171 6.987 43.812 { ca ala 1055 B12.74}6.205 9.118 42.787 { ca asp 1056 B8.99}6.372 9.849 39.056 { ca tyr 1057 B5.23}4.073 11.307 36.432 { ca ile 1058 B6.15}3.357 11.175 32.720 { ca gly 1059 B4.95}1.613 13.676 30.495 { ca ala 1060 B10.68}-0.340 13.525 27.238 { ca phe 1061 B7.75}-1.729 16.052 24.683 { ca ala 1062 B8.10}-3.706 16.254 21.450 { ca val 1063 B10.48}-3.557 19.454 19.367 { ca thr 1064 B11.99}-5.145 20.515 16.029 { ca gly 1065 B12.15}-4.511 23.460 13.684 { ca gly 1066 B12.43}-8.248 23.778 13.491 { ca leu 1067 B17.12}-11.411 21.878 12.855 { ca glu 1068 B19.41}-12.052 24.144 9.809 { ca glu 1069 B20.37}-9.186 22.705 7.855 { ca asp 1070 B24.47}-11.349 20.661 5.536 { ca ala 1071 B23.97}-13.997 23.304 4.950 { ca leu 1072 B24.31}-11.249 25.666 3.768 { ca ala 1073 B26.98}-9.338 23.261 1.506 { ca asp 1074 B32.26}-12.690 21.982 0.137 { ca ala 1075 B34.68}-13.611 25.425 -0.941 { ca phe 1076 B37.34}-10.301 26.063 -2.721 { ca glu 1077 B45.33}-10.787 22.792 -4.469 { ca ala 1078 B45.38}-14.353 23.460 -5.709 { ca gln 1079 B45.86}-13.024 26.334 -7.815 { ca his 1080 B38.66}-10.073 24.331 -9.005 { ca asp 1081 B34.92}-7.605 26.445 -6.957 { ca asp 1082 B36.41}-5.285 23.671 -5.926 { ca tyr 1083 B29.00}-2.458 26.111 -5.072 { ca asn 1084 B28.43}-4.287 27.636 -2.124 { ca lys 1085 B25.58}-5.974 24.370 -1.463 { ca ile 1086 B23.07}-2.481 23.026 -0.818 { ca met 1087 B18.57}-1.587 26.295 0.885 { ca val 1088 B17.52}-4.303 25.980 3.507 { ca lys 1089 B17.39}-3.497 22.341 4.305 { ca ala 1090 B14.31}0.220 23.124 4.423 { ca leu 1091 B15.81}-0.426 25.960 6.946 { ca ala 1092 B15.95}-2.851 24.047 9.195 { ca asp 1093 B16.57}-0.077 21.475 9.417 { ca arg 1094 B9.20}2.531 24.077 10.481 { ca leu 1095 B6.95}0.042 25.432 12.964 { ca ala 1096 B7.97}-0.672 21.978 14.415 { ca glu 1097 B9.49}3.003 21.368 14.763 { ca ala 1098 B10.11}3.575 24.889 16.211 { ca phe 1099 B6.17}0.877 24.282 18.816 { ca ala 1100 B7.75}2.658 20.987 19.800 { ca glu 1101 B9.30}5.968 22.894 20.258 { ca tyr 1102 B10.21}4.300 25.764 22.166 { ca leu 1103 B9.84}2.290 23.504 24.408 { ca his 1104 B8.19}5.337 21.313 25.155 { ca glu 1105 B8.15}7.049 24.490 26.271 { ca arg 1106 B7.77}4.180 25.481 28.581 { ca val 1107 B8.19}4.360 21.938 30.013 { ca arg 1108 B8.69}8.063 22.092 30.681 { ca lys 1109 B11.98}7.816 25.522 32.258 { ca val 1110 B10.68}4.456 25.730 34.007 { ca tyr 1111 B9.71}2.174 22.648 33.937 { ca trp 1112 B11.60}4.826 20.074 34.831 { ca gly 1113 B11.34}7.152 22.893 35.684 { ca tyr 1114 B11.72}10.532 21.261 35.826 { ca ala 1115 B16.94}12.262 23.927 33.690 { ca pro 1116 B21.34}10.637 27.217 34.836 { ca asn 1117 B26.15}13.567 29.434 33.684 { ca glu 1118 B23.92}13.903 27.810 30.290 { ca asn 1119 B31.79}14.613 30.451 27.653 { ca leu 1120 B25.27}15.094 28.874 24.209 { ca ser 1121 B24.97}14.893 30.475 20.824 { ca asn 1122 B25.37}12.715 28.895 18.228 { ca glu 1123 B27.10}15.819 27.479 16.557 { ca glu 1124 B20.70}16.766 25.912 19.870 { ca leu 1125 B13.44}13.312 24.428 20.124 { ca ile 1126 B16.49}13.571 23.005 16.583 { ca arg 1127 B21.12}16.984 21.515 17.598 { ca glu 1128 B20.63}15.195 19.933 20.611 { ca asn 1129 B24.18}17.602 21.454 23.053 { ca tyr 1130 B17.97}15.323 20.983 26.064 { ca gln 1131 B13.80}14.990 18.312 28.679 { ca gly 1132 B10.36}12.405 15.693 27.918 { ca ile 1133 B7.75}10.638 14.233 24.890 { ca arg 1134 B4.26}7.154 14.110 23.465 { ca pro 1135 B8.59}6.849 10.768 21.560 { ca ala 1136 B8.59}3.809 10.375 19.350 { ca pro 1137 B12.25}2.127 6.999 18.705 { ca gly 1138 B13.37}2.929 5.928 15.226 { ca tyr 1139 B13.88}6.503 7.183 15.417 { ca pro 1140 B14.88}9.465 4.877 15.800 { ca ala 1141 B11.60}9.784 4.713 19.667 { ca cys 1142 B12.66}6.123 3.866 19.902 { ca pro 1143 B15.71}4.903 2.503 16.579 { ca glu 1144 B14.61}1.694 0.979 17.724 { ca his 1145 B15.98}-1.154 3.164 16.520 { ca thr 1146 B12.00}-4.048 1.898 18.632 { ca glu 1147 B6.67}-2.469 3.613 21.686 { ca lys 1148 B9.38}-3.965 6.890 20.364 { ca ala 1149 B9.81}-7.139 5.391 21.772 { ca thr 1150 B13.92}-5.655 5.566 25.338 { ca ile 1151 B12.63}-4.779 9.243 24.904 { ca trp 1152 B11.63}-8.242 9.919 23.559 { ca glu 1153 B14.71}-9.644 8.298 26.658 { ca leu 1154 B11.98}-7.316 9.902 29.203 { ca leu 1155 B10.06}-7.829 13.481 28.006 { ca glu 1156 B14.33}-11.326 13.025 26.744 { ca val 1157 B10.24}-10.074 14.479 23.478 { ca glu 1158 B19.97}-13.327 14.499 21.468 { ca lys 1159 B23.08}-15.333 16.106 24.266 { ca his 1160 B18.96}-12.751 18.916 24.633 { ca thr 1161 B18.20}-11.610 19.584 21.055 { ca gly 1162 B17.21}-13.927 17.800 18.647 { ca met 1163 B14.01}-10.893 15.843 17.302 { ca lys 1164 B18.06}-11.712 12.197 16.322 { ca leu 1165 B18.13}-9.908 8.983 15.500 { ca thr 1166 B21.99}-10.767 6.853 12.521 { ca glu 1167 B27.12}-11.115 3.110 11.892 { ca ser 1168 B21.26}-7.389 2.912 11.108 { ca phe 1169 B19.96}-6.710 5.163 14.156 { ca ala 1170 B18.48}-5.792 8.227 12.123 { ca met 1171 B18.95}-6.703 11.585 13.663 { ca trp 1172 B20.85}-9.146 14.024 12.257 { ca pro 1173 B18.60}-8.628 16.828 11.361 { ca gly 1174 B15.98}-5.583 15.828 9.317 { ca ala 1175 B13.61}-3.519 18.663 10.826 { ca ser 1176 B10.23}-3.360 17.138 14.341 { ca val 1177 B9.31}-0.617 15.962 16.705 { ca ser 1178 B11.14}-0.998 13.702 19.774 { ca gly 1179 B8.28}1.495 12.135 22.157 { ca trp 1180 B8.54}2.963 11.691 25.642 { ca tyr 1181 B8.26}5.316 13.790 27.687 { ca phe 1182 B10.00}8.383 12.253 29.469 { ca ser 1183 B9.15}10.483 14.452 31.835 { ca his 1184 B10.58}13.547 12.272 32.368 { ca pro 1185 B15.15}16.861 13.929 31.529 { ca asp 1186 B16.29}18.018 10.740 29.781 { ca ser 1187 B12.36}14.926 10.223 27.669 { ca lys 1188 B17.62}15.537 10.214 23.886 { ca tyr 1189 B16.03}14.014 9.022 20.653 { ca tyr 1190 B15.15}15.084 5.741 18.978 { ca ala 1191 B15.53}13.435 3.097 16.821 { ca val 1192 B18.96}11.951 -0.091 18.364 { ca ala 1193 B24.12}12.454 -1.798 15.033 { ca gln 1194 B27.45}12.088 -5.491 14.498 { ca ile 1195 B23.40}10.233 -7.279 17.184 { ca gln 1196 B19.04}9.828 -11.034 17.524 { ca arg 1197 B15.76}6.914 -13.377 18.012 { ca asp 1198 B13.70}7.362 -13.705 21.805 { ca gln 1199 B10.57}7.041 -9.915 22.184 { ca val 1200 B9.29}3.922 -9.878 19.940 { ca glu 1201 B12.24}2.190 -12.600 22.039 { ca asp 1202 B9.43}3.036 -10.816 25.313 { ca tyr 1203 B9.01}1.931 -7.403 23.982 { ca ala 1204 B9.45}-1.305 -8.954 22.781 { ca arg 1205 B12.30}-1.885 -10.434 26.257 { ca arg 1206 B11.71}-1.300 -7.114 28.031 { ca lys 1207 B16.86}-3.514 -5.300 25.522 { ca gly 1208 B17.46}-6.158 -7.952 25.538 { ca met 1209 B23.61}-6.019 -8.427 21.778 { ca ser 1210 B27.21}-5.551 -11.491 19.597 { ca val 1211 B26.79}-2.046 -12.003 18.174 { ca thr 1212 B32.53}-3.307 -11.471 14.638 { ca glu 1213 B30.17}-4.850 -8.044 15.447 { ca val 1214 B21.21}-1.520 -7.081 16.944 { ca glu 1215 B24.46}0.074 -8.412 13.767 { ca arg 1216 B24.35}-2.028 -6.090 11.685 { ca trp 1217 B21.39}-0.904 -2.989 13.693 { ca leu 1218 B24.06}2.744 -3.841 14.098 { ca ala 1219 B28.81}3.196 -5.239 10.590 { ca pro 1220 B27.24}5.943 -2.755 9.573 { ca asn 1221 B29.28}7.825 -3.938 12.737 { ca leu 1222 B27.79}7.511 -7.707 12.715 { ca gly 1223 B34.45}10.986 -9.130 12.475 { ca tyr 1224 B40.40}9.525 -12.368 11.263 { ca asp 1225 B57.94}7.321 -13.478 8.354 { ca ala 1226 B68.73}3.789 -12.743 9.549 { ca asp 1227 B80.06}0.454 -14.131 8.361 @subgroup {SAM/Acetate io} master= {hets} @vectorlist {het} color= hotpink nobutton master= {hets} { n sam 1301 0.97 B16.14}P 10.328 21.137 14.002 {"}10.328 21.137 14.002 { ca sam 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B15.69}7.758 12.785 17.103 { n9 sam 1301 0.97 B15.67}8.864 11.782 17.037 { c8 sam 1301 0.97 B15.79}10.012 11.917 16.309 { n7 sam 1301 0.97 B18.83}10.835 10.912 16.411 { c5 sam 1301 0.97 B17.44}10.180 10.039 17.265 { c6 sam 1301 0.97 B16.84}10.534 8.714 17.743 { n6 sam 1301 0.97 B15.90}11.639 8.066 17.367 { c6 sam 1301 0.97 B16.84}P 10.534 8.714 17.743 { n1 sam 1301 0.97 B16.90}9.631 8.147 18.545 { c2 sam 1301 0.97 B15.62}8.489 8.753 18.862 { n3 sam 1301 0.97 B16.62}8.066 9.959 18.472 { n9 sam 1301 0.97 B15.67}P 8.864 11.782 17.037 { c4 sam 1301 0.97 B16.30}8.968 10.554 17.670 { c2* sam 1301 0.97 B11.36}P 7.761 13.623 18.388 { c1* sam 1301 0.97 B15.69}7.758 12.785 17.103 { c5 sam 1301 0.97 B17.44}P 10.180 10.039 17.265 { c4 sam 1301 0.97 B16.30}8.968 10.554 17.670 { n3 sam 1301 0.97 B16.62}P 8.066 9.959 18.472 { c4 sam 1301 0.97 B16.30}8.968 10.554 17.670 { c act 1302 0.97 B25.56}P -3.894 27.297 28.617 {"}-3.894 27.297 28.617 { o act 1302 0.97 B26.71}-2.709 26.946 28.848 { c act 1302 0.97 B25.56}P -3.894 27.297 28.617 { oxt act 1302 0.97 B25.04}-4.200 27.786 27.498 { c act 1302 0.97 B25.56}P -3.894 27.297 28.617 { ch3 act 1302 0.97 B23.24}-5.006 27.134 29.671 @group {tyr and arg} dominant @subgroup {sidechain} master= {sidechain} @balllist {sc N} color= sky nobutton master= {sidechain} master= {atoms} radius= 0.200 { ne arg 1134 }6.463 18.028 20.359 { nh1 arg 1134 }8.029 19.541 21.085 { nh2 arg 1134 }7.444 19.465 18.905 @balllist {sc O} color= red nobutton master= {sidechain} master= {atoms} radius= 0.200 { oh tyr 1139 }5.581 12.790 12.628 @vectorlist {sc} color= cyan master= {sidechain} { ca arg 1134 }P 7.154 14.110 23.465 { cb arg 1134 }6.554 15.480 23.178 { cg arg 1134 }7.201 16.324 22.036 { cd arg 1134 }6.204 17.398 21.665 { ne arg 1134 }6.463 18.028 20.359 { cz arg 1134 }7.316 19.012 20.127 { nh1 arg 1134 }8.029 19.541 21.085 { cz arg 1134 }P 7.316 19.012 20.127 { nh2 arg 1134 }7.444 19.465 18.905 { ca tyr 1139 }P 6.503 7.183 15.417 { cb tyr 1139 }6.889 8.480 16.039 { cg tyr 1139 }6.562 9.632 15.128 { cd1 tyr 1139 }5.273 10.073 15.012 { ce1 tyr 1139 }4.945 11.119 14.189 { cz tyr 1139 }5.925 11.752 13.464 { oh tyr 1139 }5.581 12.790 12.628 { cg tyr 1139 }P 6.562 9.632 15.128 { cd2 tyr 1139 }7.555 10.269 14.385 { ce2 tyr 1139 }7.245 11.339 13.554 { cz tyr 1139 }5.925 11.752 13.464 @group {H bonds} dominant @subgroup {} nobutton @vectorlist {Drawn} color= green { nh2 arg 1134 }P U 7.639 18.793 18.886 { o3* sam 1301 0.97 B16.05}U 8.245 16.698 18.828 { o4* sam 1301 0.97 B15.86}P U 7.611 13.589 15.460 { oh tyr 1139 }U 5.978 12.946 13.183 @kinemage 2 @caption Ribbons view with hetero-atoms labeled. To animate between ribbons and backbone, click on ANIMATE button on lower right hand side. After animating, click on the SAM/Acetate ion button to see where the hetero-atoms insert/bind to methionine synthase. Go to View9 and see how the beta sheets are anti-parallel. Look at the overview and notice how the alpha-helices and beta-sheets vary greatly in total number of amino acids. 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