Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : WK1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O O O1 N N N 0 5.844 1.042 -0.932
2 C17 C C1 N N N 0 5.998 0.19 -0.09
3 O1 O O2 N N N 0 6.937 0.344 0.857
4 C19 C C2 S N N 0 5.133 -1.044 -0.099
5 O2 O O3 N N N 0 4.876 -1.456 1.245
6 C18 C C3 N N N 0 5.855 -2.168 -0.846
7 C20 C C4 N N N 0 3.809 -0.734 -0.8
8 C22 C C5 S N N 0 3.058 0.344 -0.016
9 N N N1 N N N 0 2.565 -0.206 1.248
10 C21 C C6 N N N 0 1.227 -0.128 1.296
11 O5 O O4 N N N 0 0.546 -0.51 2.229
12 C23 C C7 N N N 0 1.841 0.796 -0.793
13 O4 O O5 N N N 0 1.816 1.308 -1.893
14 C24 C C8 N N N 0 0.697 0.481 0.069
15 C16 C C9 N N N 0 -0.631 0.713 -0.219
16 O3 O O6 N N N 0 -0.975 1.28 -1.385
17 C9 C C10 R N N 0 -1.696 0.331 0.776
18 C8 C C11 S N N 0 -2.351 1.594 1.344
19 C12 C C12 N N N 0 -2.665 2.54 0.213
20 C13 C C13 N N N 0 -3.755 2.375 -0.494
21 C90 C C14 N N N 0 -4.054 3.301 -1.645
22 C14 C C15 N N N 0 -1.726 3.675 -0.102
23 C7 C C16 N N N 0 -3.617 1.257 2.072
24 C6 C C17 N N N 0 -4.238 0.121 1.986
25 C3 C C18 R N N 0 -3.744 -1.016 1.148
26 C4 C C19 S N N 0 -2.778 -0.496 0.081
27 C5 C C20 R N N 0 -2.174 -1.684 -0.664
28 C11 C C21 N N N 0 -1.187 -1.18 -1.718
29 C2 C C22 N N N 0 -4.888 -1.762 0.466
30 C1 C C23 S N N 0 -4.309 -2.952 -0.306
31 C10 C C24 N N N 0 -5.444 -3.701 -1.009
32 C C C25 N N N 0 -3.303 -2.462 -1.348
33 H16 H H1 N N N 0 7.464 1.154 0.825
34 H23 H H2 N N N 0 4.655 -0.728 1.844
35 H26 H H3 N N N 0 6.835 -2.33 -0.399
36 H25 H H4 N N N 0 5.268 -3.084 -0.779
37 H24 H H5 N N N 0 5.975 -1.889 -1.893
38 H27 H H6 N N N 0 4.008 -0.377 -1.81
39 H28 H H7 N N N 0 3.203 -1.638 -0.848
40 H221 H H8 N N N 0 3.715 1.192 0.175
41 H29 H H9 N N N 0 3.126 -0.575 1.949
42 HO3 H H12 N N N 0 -1.92 1.352 -1.576
43 H91 H H13 N N N 0 -1.252 -0.25 1.585
44 HF3 H H14 N N N 0 -1.658 2.078 2.033
45 H150 H H15 N N N 0 -4.44 1.575 -0.253
46 H902 H H16 N N N 0 -4.995 3.01 -2.111
47 H90 H H17 N N N 0 -4.131 4.324 -1.277
48 H901 H H18 N N N 0 -3.25 3.239 -2.379
49 H18 H H19 N N N 0 -1.042 3.371 -0.894
50 H10 H H20 N N N 0 -2.301 4.541 -0.431
51 H19 H H21 N N N 0 -1.157 3.935 0.79
52 H8 H H22 N N N 0 -4.043 2.014 2.714
53 H7 H H23 N N N 0 -5.153 -0.01 2.545
54 HF1 H H24 N N N 0 -3.201 -1.714 1.787
55 H41 H H25 N N N 0 -3.321 0.135 -0.623
56 HH4 H H26 N N N 0 -1.656 -2.333 0.042
57 H13 H H27 N N N 0 -0.262 -0.872 -1.232
58 H12 H H28 N N N 0 -0.975 -1.979 -2.429
59 H11 H H29 N N N 0 -1.621 -0.331 -2.246
60 H5 H H30 N N N 0 -5.59 -2.121 1.219
61 H6 H H31 N N N 0 -5.402 -1.091 -0.223
62 HF2 H H32 N N N 0 -3.808 -3.625 0.389
63 H17 H H33 N N N 0 -5.949 -3.028 -1.702
64 H15 H H34 N N N 0 -5.034 -4.548 -1.559
65 H14 H H35 N N N 0 -6.156 -4.06 -0.266
66 H4 H H36 N N N 0 -3.81 -1.812 -2.062
67 H3 H H37 N N N 0 -2.884 -3.319 -1.876