Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B5S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


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 5.8 -2.904 -2.27
2 O2 O O2 N N N 0 4.646 -2.136 -1.923
3 C3 C C3 N Y N 0 4.793 -1.212 -0.937
4 C4 C C4 N Y N 0 6.023 -1.05 -0.317
5 C5 C C5 N Y N 0 6.174 -0.107 0.689
6 O6 O O6 N N N 0 7.379 0.052 1.296
7 C7 C C7 N Y N 0 5.095 0.673 1.076
8 C8 C C8 N Y N 0 3.864 0.511 0.455
9 N9 N N9 N N N 0 2.776 1.298 0.844
10 C10 C C10 N Y N 0 1.481 0.808 0.712
11 C11 C C11 N Y N 0 1.236 -0.556 0.863
12 C12 C C12 N Y N 0 -0.032 -1.047 0.735
13 C13 C C13 N Y N 0 -1.094 -0.182 0.452
14 C14 C C14 N N N 0 -2.461 -0.712 0.315
15 O15 O O15 N N N 0 -3.383 0.042 0.069
16 N16 N N16 N N N 0 -2.69 -2.032 0.462
17 C17 C C17 N Y N 0 -3.967 -2.55 0.226
18 C18 C C18 N Y N 0 -4.777 -1.988 -0.752
19 C19 C C19 N Y N 0 -6.038 -2.502 -0.982
20 C20 C C20 N Y N 0 -6.495 -3.576 -0.24
21 C21 C C21 N Y N 0 -5.691 -4.137 0.736
22 C22 C C22 N Y N 0 -4.427 -3.632 0.967
23 C23 C C23 N Y N 0 -0.852 1.192 0.3
24 O24 O O24 N N N 0 -1.877 2.039 0.025
25 C25 C C25 N N N 0 -1.554 3.423 -0.116
26 C26 C C26 N N N 0 -2.827 4.215 -0.421
27 C27 C C27 N N N 0 -2.482 5.698 -0.573
28 N28 N N28 N N N 1 -3.704 6.458 -0.866
29 C32 C C32 N Y N 0 0.435 1.681 0.437
30 C33 C C33 N Y N 0 3.715 -0.429 -0.555
31 HN28 H HN28 N N N 0 -4.114 6.119 -1.724
32 HN2A H HN2A N N N 0 -4.363 6.341 -0.11
33 HN2B H HN2B N N N 0 -3.477 7.436 -0.966
34 HN9 H HN9 N N N 0 2.924 2.185 1.206
35 H1 H H1 N N N 0 6.593 -2.237 -2.609
36 H1A H H1A N N N 0 6.143 -3.46 -1.397
37 H1B H H1B N N N 0 5.547 -3.602 -3.068
38 H4 H H4 N N N 0 6.863 -1.658 -0.618
39 HO6 H HO6 N N N 0 7.951 0.704 0.87
40 H7 H H7 N N N 0 5.213 1.407 1.859
41 H11 H H11 N N N 0 2.053 -1.228 1.081
42 H12 H H12 N N N 0 -0.214 -2.105 0.853
43 HN16 H HN16 N N N 0 -1.969 -2.622 0.732
44 H21 H H21 N N N 0 -6.051 -4.975 1.314
45 H18 H H18 N N N 0 -4.421 -1.149 -1.332
46 H19 H H19 N N N 0 -6.668 -2.065 -1.743
47 H20 H H20 N N N 0 -7.481 -3.976 -0.422
48 H22 H H22 N N N 0 -3.798 -4.074 1.725
49 H25 H H25 N N N 0 -1.112 3.79 0.811
50 H25A H H25A N N N 0 -0.843 3.549 -0.933
51 H27A H H27A N N N 0 -1.771 5.824 -1.389
52 H26 H H26 N N N 0 -3.27 3.849 -1.348
53 H26A H H26A N N N 0 -3.538 4.089 0.395
54 H27 H H27 N N N 0 -2.04 6.064 0.354
55 H32 H H32 N N N 0 0.627 2.737 0.326
56 H33 H H33 N N N 0 2.758 -0.553 -1.041