Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : X0B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 70


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 -0.287 2.071 1.429
2 C19 C C19 N N N 0 -1.348 1.238 1.424
3 O O O N N N 0 -2.458 1.666 1.674
4 C18 C C18 N Y N 0 -1.161 -0.189 1.117
5 N3 N N3 N Y N 0 0.026 -0.71 0.837
6 C20 C C20 N Y N 0 -2.195 -1.077 1.102
7 C21 C C21 N N N 0 -3.637 -0.746 1.389
8 C22 C C22 N N N 0 -4.341 -0.361 0.086
9 C23 C C23 N N N 0 -5.805 -0.026 0.377
10 O24 O O24 N N N 0 -6.462 0.334 -0.84
11 C25 C C25 N Y N 0 -7.778 0.663 -0.757
12 C30 C C30 N Y N 0 -8.478 1.023 -1.899
13 C29 C C29 N Y N 0 -9.815 1.357 -1.812
14 C28 C C28 N Y N 0 -10.456 1.334 -0.587
15 C31 C C31 N N N 0 -11.915 1.699 -0.495
16 N4 N N4 N N N 0 -12.734 0.492 -0.67
17 C27 C C27 N Y N 0 -9.761 0.975 0.553
18 C26 C C26 N Y N 0 -8.425 0.635 0.47
19 S1 S S1 N Y N 0 -1.591 -2.627 0.706
20 C17 C C17 N Y N 0 0.041 -1.982 0.585
21 C14 C C14 N Y N 0 1.247 -2.771 0.25
22 C15 C C15 N Y N 0 1.143 -4.14 -0.0030
23 C16 C C16 N Y N 0 2.266 -4.878 -0.314
24 C11 C C11 N Y N 0 3.51 -4.274 -0.379
25 C10 C C10 N N N 0 4.713 -5.115 -0.714
26 C9 C C9 N N N 0 5.845 -4.262 -1.28
27 C8 C C8 N N N 0 6.169 -3.129 -0.298
28 C13 C C13 N Y N 0 2.492 -2.151 0.18
29 C12 C C12 N Y N 0 3.623 -2.905 -0.131
30 C7 C C7 N N N 0 4.944 -2.243 -0.209
31 N2 N N2 N N N 0 5.049 -0.95 -0.202
32 N1 N N1 N N N 0 6.312 -0.349 -0.277
33 C6 C C6 N Y N 0 6.424 1.027 -0.269
34 S S S N Y N 0 7.94 1.912 -0.357
35 C3 C C3 N Y N 0 7.068 3.441 -0.285
36 C2 C C2 N Y N 0 7.523 4.757 -0.3
37 C1 C C1 N Y N 0 6.627 5.801 -0.232
38 N N N N Y N 0 5.43 1.846 -0.202
39 C4 C C4 N Y N 0 5.7 3.166 -0.2
40 C5 C C5 N Y N 0 4.801 4.251 -0.132
41 C C C N Y N 0 5.266 5.542 -0.147
42 H1 H H1 N N N 0 -0.459 2.999 1.637
43 H211 H H211 N N N 0 -4.129 -1.616 1.824
44 H212 H H212 N N N 0 -3.687 0.088 2.089
45 H221 H H221 N N N 0 -3.848 0.508 -0.35
46 H222 H H222 N N N 0 -4.291 -1.195 -0.614
47 H231 H H231 N N N 0 -6.297 -0.895 0.812
48 H232 H H232 N N N 0 -5.854 0.808 1.077
49 H30 H H30 N N N 0 -7.977 1.041 -2.856
50 H26 H H26 N N N 0 -7.883 0.351 1.36
51 H29 H H29 N N N 0 -10.361 1.637 -2.701
52 H311 H H311 N N N 0 -12.119 2.137 0.483
53 H312 H H312 N N N 0 -12.16 2.42 -1.274
54 H27 H H27 N N N 0 -10.264 0.958 1.509
55 H41N H H41N N N N 0 -13.718 0.711 -0.612
56 H42N H H42N N N N 0 -12.517 0.031 -1.541
57 H15 H H15 N N N 0 0.178 -4.624 0.044
58 H13 H H13 N N N 0 2.582 -1.092 0.371
59 H16 H H16 N N N 0 2.174 -5.937 -0.507
60 H101 H H101 N N N 0 5.06 -5.615 0.19
61 H102 H H102 N N N 0 4.429 -5.866 -1.45
62 H91C H H91C N N N 0 6.729 -4.883 -1.424
63 H92C H H92C N N N 0 5.538 -3.838 -2.236
64 H81C H H81C N N N 0 6.399 -3.543 0.684
65 H82C H H82C N N N 0 7.018 -2.552 -0.665
66 HA H HA N N N 0 7.108 -0.9 -0.334
67 H2 H H2 N N N 0 8.582 4.961 -0.366
68 HB H HB N N N 0 6.983 6.82 -0.243
69 H H H N N N 0 4.567 6.363 -0.094
70 H5 H H5 N N N 0 3.739 4.065 -0.067