Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : GS2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -7.011 1.927 -2.353
2 N1 N N1 N N N 0 -6.345 0.886 -1.565
3 C2 C C2 N N N 0 -6.178 1.049 -0.237
4 O1 O O1 N N N 0 -6.58 2.061 0.306
5 C3 C C3 N Y N 0 -5.51 0.003 0.555
6 C4 C C4 N Y N 0 -6.258 -1.028 1.134
7 F1 F F1 N N N 0 -7.598 -1.068 0.968
8 C5 C C5 N Y N 0 -5.622 -2.006 1.875
9 C6 C C6 N Y N 0 -4.25 -1.971 2.048
10 C7 C C7 N Y N 0 -3.499 -0.959 1.483
11 C8 C C8 N Y N 0 -4.117 0.03 0.73
12 N2 N N2 N N N 0 -3.36 1.046 0.156
13 C9 C C9 N Y N 0 -2.018 0.841 -0.116
14 C11 C C11 N Y N 0 1.724 -2.038 -0.165
15 N3 N N3 N Y N 0 -1.466 -0.356 0.049
16 C10 C C10 N Y N 0 -0.18 -0.557 -0.21
17 N4 N N4 N N N 0 0.348 -1.825 -0.023
18 C12 C C12 N Y N 0 2.606 -0.99 0.028
19 C13 C C13 N Y N 0 3.972 -1.198 -0.113
20 N5 N N5 N Y N 0 5.076 -0.371 0.012
21 C14 C C14 N Y N 0 6.223 -1.09 -0.236
22 C15 C C15 N Y N 0 5.911 -2.361 -0.52
23 C16 C C16 N Y N 0 4.45 -2.476 -0.45
24 C17 C C17 N Y N 0 3.553 -3.529 -0.643
25 C18 C C18 N Y N 0 2.199 -3.311 -0.496
26 O2 O O2 N N N 0 1.323 -4.335 -0.678
27 C19 C C19 N N N 0 1.875 -5.609 -1.015
28 C20 C C20 N N N 0 5.034 0.939 0.328
29 O3 O O3 N N N 0 3.968 1.48 0.528
30 C21 C C21 N N N 0 6.312 1.73 0.433
31 N6 N N6 N N N 0 5.999 3.122 0.786
32 C22 C C22 N N N 0 5.424 3.205 2.135
33 C23 C C23 N N N 0 7.188 3.976 0.666
34 N7 N N7 N Y N 0 0.617 0.406 -0.641
35 C24 C C24 N Y N 0 0.15 1.638 -0.835
36 N8 N N8 N Y N 0 0.706 2.813 -1.26
37 C25 C C25 N Y N 0 -0.244 3.804 -1.277
38 C26 C C26 N Y N 0 -1.424 3.309 -0.871
39 C27 C C27 N Y N 0 -1.21 1.892 -0.577
40 H1 H H1 N N N 0 -7.053 1.62 -3.398
41 H1A H H1A N N N 0 -8.023 2.077 -1.976
42 H1B H H1B N N N 0 -6.451 2.858 -2.27
43 HN1 H HN1 N N N 0 -6.026 0.079 -1.998
44 H5 H H5 N N N 0 -6.2 -2.802 2.322
45 H6 H H6 N N N 0 -3.762 -2.739 2.629
46 H7 H H7 N N N 0 -2.428 -0.939 1.624
47 HN2 H HN2 N N N 0 -3.773 1.898 -0.055
48 HN4 H HN4 N N N 0 -0.236 -2.564 0.208
49 H12 H H12 N N N 0 2.233 -0.01 0.287
50 H14 H H14 N N N 0 7.226 -0.689 -0.207
51 H15 H H15 N N N 0 6.605 -3.154 -0.757
52 H17 H H17 N N N 0 3.919 -4.511 -0.904
53 H19 H H19 N N N 0 2.546 -5.936 -0.22
54 H19A H H19A N N N 0 1.071 -6.335 -1.131
55 H19B H H19B N N N 0 2.431 -5.529 -1.949
56 H21 H H21 N N N 0 6.947 1.294 1.203
57 H21A H H21A N N N 0 6.833 1.707 -0.524
58 H22 H H22 N N N 0 6.138 2.813 2.859
59 H22A H H22A N N N 0 5.201 4.246 2.371
60 H22B H H22B N N N 0 4.506 2.619 2.176
61 H23 H H23 N N N 0 7.552 3.95 -0.361
62 H23A H H23A N N N 0 6.928 5.0 0.933
63 H26 H H26 N N N 0 -2.353 3.851 -0.782
64 H23B H H23B N N N 0 7.966 3.612 1.337
65 HN8 H HN8 N N N 0 1.636 2.93 -1.512
66 H25 H H25 N N N 0 -0.069 4.827 -1.573