Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : BS1

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 C17 C C17 N N N 0 4.826 0.44 -0.925
2 N1 N N1 N N N 1 3.618 0.337 -0.096
3 C16 C C16 N N N 0 3.975 0.12 1.313
4 C3 C C3 S N N 0 2.777 1.555 -0.241
5 C12 C C12 N N N 0 2.078 1.373 -1.608
6 C13 C C13 N N N 0 2.051 -0.152 -1.839
7 C2 C C2 R N N 0 2.738 -0.756 -0.587
8 C8 C C8 N N N 0 1.696 1.495 0.851
9 C6 C C6 N N N 0 0.796 0.283 0.591
10 C7 C C7 N N N 0 1.654 -0.983 0.479
11 O1 O O1 N N N 0 -0.126 0.137 1.673
12 C1 C C1 S N N 0 -1.457 -0.182 1.262
13 C5 C C5 N Y N 0 -1.385 -1.508 0.613
14 C19 C C19 N Y N 0 -0.925 -2.512 1.491
15 C23 C C23 N Y N 0 -0.842 -3.825 1.1
16 C26 C C26 N Y N 0 -1.233 -4.162 -0.184
17 C21 C C21 N Y N 0 -1.656 -3.173 -1.033
18 C9 C C9 N Y N 0 -1.701 -1.815 -0.64
19 C15 C C15 N N N 0 -2.049 -0.958 -1.837
20 C14 C C14 N N N 0 -3.039 0.131 -1.564
21 C10 C C10 N Y N 0 -2.588 1.164 -0.552
22 C22 C C22 N Y N 0 -2.908 2.459 -1.02
23 C25 C C25 N Y N 0 -2.693 3.579 -0.26
24 C24 C C24 N Y N 0 -2.158 3.438 1.008
25 C18 C C18 N Y N 0 -1.814 2.184 1.442
26 C4 C C4 N Y N 0 -2.0 1.041 0.635
27 H171 H H171 N N N 0 5.409 -0.476 -0.834
28 H172 H H172 N N N 0 4.54 0.587 -1.967
29 H173 H H173 N N N 0 5.425 1.287 -0.59
30 H161 H H161 N N N 0 4.587 0.95 1.664
31 H162 H H162 N N N 0 3.067 0.058 1.912
32 H163 H H163 N N N 0 4.536 -0.81 1.406
33 H3 H H3 N N N 0 3.366 2.47 -0.198
34 H2 H H2 N N N 0 3.296 -1.664 -0.817
35 H121 H H121 N N N 0 1.064 1.769 -1.571
36 H122 H H122 N N N 0 2.65 1.865 -2.395
37 H81C H H81C N N N 0 2.17 1.396 1.828
38 H82C H H82C N N N 0 1.099 2.406 0.823
39 H131 H H131 N N N 0 1.023 -0.506 -1.915
40 H132 H H132 N N N 0 2.61 -0.41 -2.738
41 H71C H H71C N N N 0 1.027 -1.826 0.189
42 H72C H H72C N N N 0 2.125 -1.191 1.44
43 H6 H H6 N N N 0 0.245 0.433 -0.337
44 H1 H H1 N N N 0 -2.019 -0.324 2.186
45 H19 H H19 N N N 0 -0.63 -2.241 2.494
46 H23 H H23 N N N 0 -0.481 -4.581 1.782
47 H26 H H26 N N N 0 -1.204 -5.19 -0.512
48 H21 H H21 N N N 0 -1.965 -3.439 -2.033
49 H151 H H151 N N N 0 -1.133 -0.504 -2.214
50 H152 H H152 N N N 0 -2.454 -1.604 -2.616
51 H141 H H141 N N N 0 -3.256 0.641 -2.503
52 H142 H H142 N N N 0 -3.961 -0.324 -1.204
53 H22 H H22 N N N 0 -3.334 2.569 -2.006
54 H25 H H25 N N N 0 -2.938 4.558 -0.646
55 H24 H H24 N N N 0 -2.014 4.299 1.643
56 H18 H H18 N N N 0 -1.39 2.067 2.429