Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RKI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 36


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C18 C C1 N Y N 0 4.856 -0.842 -0.547
2 C16 C C2 N Y N 0 3.251 -2.509 -0.585
3 C14 C C3 N Y N 0 2.539 -0.39 -0.032
4 C04 C C9 N N N 0 -5.08 -0.73 -1.199
5 C12 C C4 N N N 0 1.452 0.536 0.363
6 C10 C C5 N N N 0 -0.879 0.99 0.909
7 C20 C C6 N Y N 0 6.161 1.089 -0.399
8 C19 C C7 N Y N 0 6.152 -0.207 -0.661
9 C02 C C8 N N N 0 -6.051 0.421 -1.235
10 C05 C C10 N Y N 0 -4.185 -0.595 0.006
11 C23 C C16 N Y N 0 -2.993 0.099 -0.092
12 C06 C C11 N Y N 0 -4.552 -1.17 1.208
13 C07 C C12 N Y N 0 -3.732 -1.046 2.313
14 C08 C C13 N Y N 0 -2.543 -0.347 2.217
15 C09 C C14 N Y N 0 -2.175 0.228 1.015
16 C22 C C15 N Y N 0 3.857 0.074 -0.178
17 N11 N N1 N N N 0 0.196 0.074 0.519
18 N15 N N2 N Y N 0 2.289 -1.68 -0.235
19 N17 N N3 N Y N 0 4.496 -2.124 -0.741
20 O01 O O1 N N N 0 -6.951 0.509 -2.227
21 O03 O O2 N N N 0 -6.02 1.265 -0.37
22 O13 O O3 N N N 0 1.693 1.713 0.546
23 S21 S S1 N Y N 0 4.56 1.671 0.016
24 H161 H H1 N N N 0 3.006 -3.548 -0.751
25 H101 H H2 N N N 0 -0.979 1.774 0.158
26 H102 H H3 N N N 0 -0.642 1.439 1.874
27 H201 H H4 N N N 0 7.044 1.71 -0.436
28 H191 H H5 N N N 0 7.043 -0.75 -0.94
29 H042 H H6 N N N 0 -5.63 -1.669 -1.139
30 H041 H H7 N N N 0 -4.473 -0.722 -2.105
31 H061 H H8 N N N 0 -5.481 -1.716 1.284
32 H071 H H9 N N N 0 -4.02 -1.494 3.253
33 H081 H H10 N N N 0 -1.902 -0.249 3.08
34 H231 H H11 N N N 0 -2.704 0.544 -1.033
35 H111 H H12 N N N 0 0.003 -0.865 0.373
36 H1 H H13 N N N 0 -7.554 1.266 -2.207