Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : SHW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


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 -5.976 -0.329 -0.449
2 O1 O O1 N N N 0 -5.728 -0.052 0.705
3 S1 S S1 N N N 0 -4.719 -0.828 -1.499
4 C2 C C2 N N N 0 -7.392 -0.241 -0.958
5 C3 C C3 R N N 0 -8.312 0.219 0.174
6 O3 O O3 N N N 0 -8.341 -0.776 1.199
7 C4 C C4 N N N 0 -9.726 0.429 -0.372
8 C5 C C5 N N N 0 -10.617 1.008 0.729
9 C6 C C6 N N N 0 -12.031 1.217 0.183
10 C7 C C7 N N N 0 -12.922 1.796 1.284
11 C8 C C8 N N N 0 -14.336 2.006 0.738
12 O23 O O23 N N N 0 8.769 2.19 -1.363
13 P24 P P24 N N N 0 7.678 2.659 -0.478
14 O26 O O26 N N N 0 6.377 2.996 -1.363
15 C29 C C29 N N N 0 6.687 -0.658 1.457
16 O27 O O27 N N N 0 7.319 1.507 0.587
17 C28 C C28 N N N 0 6.965 0.176 0.205
18 O28 O O28 N N N 0 8.153 3.984 0.304
19 C30 C C30 N N N 0 7.941 -0.695 2.333
20 C31 C C31 N N N 0 5.535 -0.029 2.243
21 C32 C C32 S N N 0 6.307 -2.082 1.048
22 O33 O O33 N N N 0 7.429 -2.714 0.428
23 C34 C C34 N N N 0 5.156 -2.036 0.077
24 O35 O O35 N N N 0 5.34 -2.291 -1.094
25 N36 N N36 N N N 0 3.922 -1.711 0.51
26 C37 C C37 N N N 0 2.783 -1.775 -0.409
27 C38 C C38 N N N 0 1.508 -1.359 0.329
28 C39 C C39 N N N 0 0.336 -1.425 -0.616
29 O40 O O40 N N N 0 0.504 -1.771 -1.766
30 N41 N N41 N N N 0 -0.898 -1.1 -0.183
31 C42 C C42 N N N 0 -2.037 -1.165 -1.102
32 C43 C C43 N N N 0 -3.311 -0.749 -0.364
33 H2 H H2 N N N 0 -7.439 0.475 -1.778
34 H2A H H2A N N N 0 -7.713 -1.22 -1.312
35 H3 H H3 N N N 0 -7.94 1.156 0.587
36 HO3 H HO3 N N N 0 -8.663 -1.638 0.902
37 H4 H H4 N N N 0 -9.692 1.122 -1.213
38 H4A H H4A N N N 0 -10.133 -0.526 -0.704
39 H5 H H5 N N N 0 -10.652 0.315 1.57
40 H5A H H5A N N N 0 -10.211 1.963 1.061
41 H6 H H6 N N N 0 -11.997 1.91 -0.658
42 H6A H H6A N N N 0 -12.438 0.262 -0.149
43 H7 H H7 N N N 0 -12.957 1.103 2.125
44 H7A H H7A N N N 0 -12.516 2.751 1.617
45 H8 H H8 N N N 0 -14.302 2.698 -0.103
46 H8A H H8A N N N 0 -14.743 1.05 0.406
47 H8B H H8B N N N 0 -14.971 2.418 1.523
48 HO26 H HO26 N N N 0 5.621 3.309 -0.848
49 H28 H H28 N N N 0 6.072 0.203 -0.419
50 H28A H H28A N N N 0 7.786 -0.272 -0.355
51 HO28 H HO28 N N N 0 8.387 4.721 -0.277
52 H30 H H30 N N N 0 8.241 0.322 2.582
53 H30A H H30A N N N 0 7.727 -1.245 3.25
54 H30B H H30B N N N 0 8.747 -1.191 1.793
55 H31 H H31 N N N 0 4.68 0.115 1.582
56 H31A H H31A N N N 0 5.252 -0.688 3.064
57 H31B H H31B N N N 0 5.851 0.935 2.644
58 H32 H H32 N N N 0 6.015 -2.648 1.932
59 HO33 H HO33 N N N 0 7.744 -2.263 -0.368
60 HN36 H HN36 N N N 0 3.788 -1.435 1.43
61 H37 H H37 N N N 0 2.954 -1.1 -1.247
62 H37A H H37A N N N 0 2.672 -2.794 -0.779
63 H38 H H38 N N N 0 1.337 -2.034 1.168
64 H38A H H38A N N N 0 1.619 -0.34 0.7
65 HN41 H HN41 N N N 0 -1.032 -0.824 0.737
66 H42 H H42 N N N 0 -1.866 -0.49 -1.94
67 H42A H H42A N N N 0 -2.148 -2.184 -1.472
68 H43 H H43 N N N 0 -3.201 0.27 0.007
69 H43A H H43A N N N 0 -3.482 -1.424 0.475