Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0XX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 144


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C2 N Y N 0 -12.832 2.632 0.148
2 C3 C C3 N Y N 0 -12.269 3.141 -1.008
3 C4 C C4 N Y N 0 -10.951 3.55 -1.015
4 C5 C C5 N Y N 0 -10.187 3.45 0.145
5 C6 C C6 N Y N 0 -10.759 2.936 1.308
6 C7 C C7 N Y N 0 -12.078 2.53 1.304
7 C8 C C8 N Y N 0 -8.769 3.888 0.144
8 C9 C C9 N Y N 0 -8.199 4.406 -1.017
9 C11 C C11 N Y N 0 -6.124 4.706 0.141
10 C12 C C12 N Y N 0 -6.687 4.196 1.297
11 C13 C C13 N Y N 0 -8.005 3.787 1.304
12 N16 N N16 N N N 0 -14.543 0.517 -0.273
13 O78 O O78 N N N 0 14.254 -2.385 -0.605
14 C75 C C75 N N N 0 13.498 -2.525 0.333
15 N76 N N76 N N N 0 13.792 -3.406 1.31
16 O77 O O77 N N N 0 14.984 -4.167 1.242
17 C54 C C54 S N N 0 12.229 -1.715 0.405
18 N55 N N55 N N N 0 12.251 -0.681 -0.632
19 S60 S S60 N N N 0 12.0 0.905 -0.226
20 O62 O O62 N N N 0 11.372 0.898 1.049
21 C63 C C63 N Y N 0 13.584 1.641 0.0040
22 C68 C C68 N Y N 0 14.232 2.23 -1.066
23 C67 C C67 N Y N 0 15.473 2.809 -0.892
24 C66 C C66 N Y N 0 16.073 2.797 0.366
25 C69 C C69 N Y N 0 17.407 3.418 0.56
26 C74 C C74 N Y N 0 18.008 3.407 1.817
27 C73 C C73 N Y N 0 19.249 3.985 1.992
28 C72 C C72 N Y N 0 19.896 4.575 0.921
29 C71 C C71 N Y N 0 19.305 4.589 -0.329
30 C70 C C70 N Y N 0 18.067 4.009 -0.516
31 C65 C C65 N Y N 0 15.416 2.202 1.441
32 C64 C C64 N Y N 0 14.173 1.632 1.256
33 O61 O O61 N N N 0 11.431 1.527 -1.37
34 O56 O O56 N N N 0 12.486 -1.037 -1.982
35 C57 C C57 N N N 0 11.295 -1.22 -2.751
36 C59 C C59 N N N 0 11.241 -0.172 -3.865
37 C58 C C58 N N N 0 11.295 -2.62 -3.368
38 C51 C C51 N N N 0 11.025 -2.633 0.186
39 C50 C C50 N N N 0 9.734 -1.836 0.382
40 N49 N N49 N N N 0 8.581 -2.715 0.172
41 C48 C C48 N N N 0 7.33 -2.226 0.294
42 O53 O O53 N N N 0 7.16 -1.059 0.577
43 C47 C C47 N N N 0 6.144 -3.13 0.078
44 C46 C C46 N N N 0 4.853 -2.333 0.274
45 C45 C C45 N N N 0 3.649 -3.251 0.055
46 N44 N N44 N N N 0 2.412 -2.488 0.243
47 C43 C C43 N N N 0 1.217 -3.094 0.099
48 O52 O O52 N N N 0 1.165 -4.274 -0.187
49 C39 C C39 N Y N 0 -0.03 -2.324 0.289
50 C38 C C38 N Y N 0 -1.266 -2.949 0.14
51 C40 C C40 N Y N 0 0.028 -0.969 0.623
52 C41 C C41 N Y N 0 -1.137 -0.248 0.801
53 C42 C C42 N Y N 0 -2.365 -0.86 0.649
54 C37 C C37 N Y N 0 -2.437 -2.216 0.321
55 C34 C C34 N N N 0 -3.753 -2.872 0.166
56 O35 O O35 N N N 0 -3.815 -4.052 -0.12
57 N33 N N33 N N N 0 -4.885 -2.161 0.341
58 C32 C C32 N N N 0 -6.189 -2.811 0.187
59 C31 C C31 N N N 0 -7.3 -1.789 0.437
60 C30 C C30 N N N 0 -8.662 -2.468 0.277
61 C29 C C29 N N N 0 -9.757 -1.462 0.523
62 O36 O O36 N N N 0 -9.475 -0.315 0.8
63 N28 N N28 N N N 0 -11.049 -1.836 0.436
64 C27 C C27 N N N 0 -12.113 -0.858 0.676
65 C26 C C26 N N N 0 -13.475 -1.537 0.515
66 C20 C C20 R N N 0 -14.586 -0.515 0.765
67 C21 C C21 N N N 0 -15.923 -1.209 0.728
68 O25 O O25 N N N 0 -16.711 -0.96 -0.159
69 N22 N N22 N N N 0 -16.244 -2.106 1.682
70 O23 O O23 N N N 0 -17.5 -2.758 1.647
71 O17 O O17 N N N 0 -14.523 0.147 -1.639
72 C19 C C19 N N N 0 -15.819 0.033 -2.229
73 C24 C C24 N N N 0 -15.923 0.986 -3.422
74 C23 C C23 N N N 0 -16.038 -1.405 -2.705
75 S1 S S1 N N N 0 -14.517 2.118 0.152
76 O14 O O14 N N N 0 -14.953 2.181 1.503
77 O15 O O15 N N N 0 -15.154 2.824 -0.904
78 C10 C C10 N Y N 0 -6.88 4.812 -1.013
79 H1 H H1 N N N 0 -12.862 3.218 -1.907
80 H2 H H2 N N N 0 -10.513 3.947 -1.919
81 H3 H H3 N N N 0 -10.171 2.856 2.21
82 H4 H H4 N N N 0 -12.522 2.131 2.204
83 H5 H H5 N N N 0 -8.788 4.49 -1.918
84 H6 H H6 N N N 0 -5.092 5.024 0.139
85 H7 H H7 N N N 0 -6.093 4.119 2.196
86 H8 H H8 N N N 0 -8.443 3.39 2.208
87 H9 H H9 N N N 0 13.187 -3.518 2.06
88 H10 H H10 N N N 0 15.108 -4.771 1.987
89 H11 H H11 N N N 0 12.154 -1.245 1.386
90 H12 H H12 N N N 0 13.766 2.238 -2.04
91 H13 H H13 N N N 0 15.978 3.269 -1.728
92 H14 H H14 N N N 0 17.503 2.947 2.654
93 H15 H H15 N N N 0 19.715 3.977 2.966
94 H16 H H16 N N N 0 20.867 5.027 1.062
95 H17 H H17 N N N 0 19.815 5.051 -1.161
96 H18 H H18 N N N 0 17.606 4.02 -1.493
97 H19 H H19 N N N 0 15.877 2.191 2.417
98 H20 H H20 N N N 0 13.661 1.174 2.089
99 H21 H H21 N N N 0 10.424 -1.108 -2.105
100 H22 H H22 N N N 0 10.347 -0.329 -4.468
101 H23 H H23 N N N 0 11.212 0.825 -3.425
102 H24 H H24 N N N 0 12.125 -0.266 -4.495
103 H25 H H25 N N N 0 11.334 -3.366 -2.574
104 H26 H H26 N N N 0 10.387 -2.759 -3.954
105 H27 H H27 N N N 0 12.166 -2.732 -4.014
106 H28 H H28 N N N 0 11.054 -3.034 -0.827
107 H29 H H29 N N N 0 11.058 -3.454 0.902
108 H30 H H30 N N N 0 9.705 -1.435 1.395
109 H31 H H31 N N N 0 9.701 -1.015 -0.335
110 H32 H H32 N N N 0 8.717 -3.648 -0.054
111 H33 H H33 N N N 0 6.173 -3.531 -0.936
112 H34 H H34 N N N 0 6.177 -3.951 0.794
113 H35 H H35 N N N 0 4.824 -1.932 1.287
114 H36 H H36 N N N 0 4.82 -1.513 -0.443
115 H37 H H37 N N N 0 3.677 -3.652 -0.959
116 H38 H H38 N N N 0 3.682 -4.071 0.771
117 H39 H H39 N N N 0 2.454 -1.546 0.471
118 H40 H H40 N N N 0 -1.317 -3.997 -0.114
119 H41 H H41 N N N 0 0.985 -0.484 0.743
120 H42 H H42 N N N 0 -1.086 0.799 1.06
121 H43 H H43 N N N 0 -3.272 -0.291 0.79
122 H44 H H44 N N N 0 -4.836 -1.219 0.569
123 H45 H H45 N N N 0 -6.281 -3.207 -0.824
124 H46 H H46 N N N 0 -6.276 -3.626 0.906
125 H47 H H47 N N N 0 -7.209 -1.393 1.449
126 H48 H H48 N N N 0 -7.213 -0.974 -0.281
127 H49 H H49 N N N 0 -8.754 -2.864 -0.735
128 H50 H H50 N N N 0 -8.749 -3.283 0.995
129 H51 H H51 N N N 0 -11.274 -2.753 0.214
130 H52 H H52 N N N 0 -12.021 -0.462 1.687
131 H53 H H53 N N N 0 -12.026 -0.043 -0.043
132 H54 H H54 N N N 0 -13.566 -1.933 -0.496
133 H55 H H55 N N N 0 -13.561 -2.352 1.234
134 H56 H H56 N N N 0 -14.443 -0.055 1.743
135 H57 H H57 N N N 0 -15.614 -2.305 2.392
136 H58 H H58 N N N 0 -17.639 -3.383 2.372
137 H59 H H59 N N N 0 -16.579 0.291 -1.491
138 H60 H H60 N N N 0 -15.884 2.016 -3.068
139 H61 H H61 N N N 0 -15.093 0.805 -4.105
140 H62 H H62 N N N 0 -16.865 0.816 -3.942
141 H63 H H63 N N N 0 -15.964 -2.084 -1.856
142 H64 H H64 N N N 0 -17.027 -1.492 -3.155
143 H65 H H65 N N N 0 -15.278 -1.663 -3.443
144 H66 H H66 N N N 0 -6.437 5.214 -1.912