Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : SUB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 60


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 -0.236 0.373 0.952
2 N1 N N1 N N N 0 -1.496 -0.072 1.13
3 C2 C C2 S N N 0 -2.561 0.36 0.223
4 C3 C C3 N N N 0 -4.642 3.545 0.462
5 C4 C C4 N N N 0 -3.677 -0.686 0.211
6 C5 C C5 N Y N 0 -3.154 -1.973 -0.373
7 C6 C C6 N Y N 0 -2.585 -2.925 0.451
8 C7 C C7 N Y N 0 -2.104 -4.105 -0.085
9 C8 C C8 N Y N 0 -2.193 -4.333 -1.446
10 C9 C C9 N Y N 0 -2.763 -3.381 -2.27
11 C10 C C10 N Y N 0 -3.247 -2.202 -1.733
12 O1 O O1 N N N 0 -4.108 2.273 0.009
13 O2 O O2 N N N 0 -2.667 2.207 1.683
14 C11 C C11 N N N 0 -3.115 1.681 0.692
15 C12 C C12 N N N 0 -5.755 3.997 -0.486
16 C13 C C13 N N N 0 2.896 -1.593 1.876
17 O3 O O3 N N N 0 0.015 1.132 0.04
18 C14 C C14 N N N 0 3.854 -0.509 2.377
19 S1 S S1 N N N 0 2.961 0.606 3.496
20 C15 C C15 N N N 0 1.63 1.152 2.387
21 C16 C C16 R N N 0 0.86 -0.072 1.885
22 N2 N N2 N N N 0 1.774 -0.967 1.173
23 C21 C C21 N Y N 0 2.024 2.036 -2.661
24 S2 S S2 N N N 0 1.536 -1.274 -0.437
25 C17 C C17 N Y N 0 2.262 0.054 -1.339
26 C18 C C18 N Y N 0 3.637 0.155 -1.434
27 C19 C C19 N Y N 0 4.206 1.197 -2.142
28 C20 C C20 N Y N 0 3.4 2.138 -2.755
29 C22 C C22 N Y N 0 1.455 0.992 -1.956
30 O4 O O4 N N N 0 2.326 -2.418 -0.732
31 O5 O O5 N N N 0 0.135 -1.165 -0.648
32 C23 C C23 N N N 0 4.02 3.274 -3.526
33 HN1 H HN1 N N N 0 -1.697 -0.679 1.86
34 H2 H H2 N N Y 0 -2.158 0.473 -0.784
35 H31 H 1H3 N N N 0 -3.847 4.291 0.47
36 H32 H 2H3 N N N 0 -5.045 3.433 1.468
37 H41 H 1H4 N N N 0 -4.02 -0.863 1.231
38 H42 H 2H4 N N N 0 -4.508 -0.324 -0.394
39 H6 H H6 N N N 0 -2.515 -2.748 1.514
40 H7 H H7 N N N 0 -1.659 -4.849 0.559
41 H8 H H8 N N N 0 -1.817 -5.255 -1.865
42 H9 H H9 N N N 0 -2.832 -3.558 -3.333
43 H10 H H10 N N N 0 -3.692 -1.458 -2.377
44 H121 H 1H12 N N N 0 -5.352 4.109 -1.493
45 H122 H 2H12 N N N 0 -6.55 3.251 -0.495
46 H123 H 3H12 N N N 0 -6.156 4.952 -0.147
47 H131 H 1H13 N N N 0 3.425 -2.259 1.194
48 H132 H 2H13 N N N 0 2.519 -2.166 2.724
49 H141 H 1H14 N N N 0 4.239 0.057 1.529
50 H142 H 2H14 N N N 0 4.682 -0.975 2.911
51 H151 H 1H15 N N N 0 2.059 1.685 1.539
52 H152 H 2H15 N N N 0 0.953 1.812 2.929
53 H16 H H16 N N N 0 0.423 -0.599 2.734
54 H18 H H18 N N N 0 4.267 -0.58 -0.956
55 H19 H H19 N N N 0 5.281 1.276 -2.216
56 H21 H H21 N N N 0 1.394 2.771 -3.14
57 H22 H H22 N N N 0 0.381 0.912 -1.882
58 H231 H 1H23 N N N 0 4.153 2.977 -4.567
59 H232 H 2H23 N N N 0 3.367 4.146 -3.477
60 H233 H 3H23 N N N 0 4.989 3.522 -3.092