Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : GKI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C1 N N N 0 4.518 -0.582 0.276
2 C12 C C2 N N N 0 5.214 -0.673 1.61
3 C14 C C3 N N N 0 4.923 2.414 -0.59
4 C15 C C4 N Y N 0 -0.034 1.646 -0.035
5 C18 C C5 N Y N 0 -2.187 1.034 -0.149
6 N20 N N1 N N N 0 -3.266 0.178 -0.298
7 C25 C C6 N N N 0 -3.205 -0.92 0.677
8 C16 C C7 N Y N 0 -0.538 2.878 0.165
9 C01 C C8 N N N 0 -0.144 -3.96 -1.47
10 C02 C C9 N N N 0 0.297 -3.202 -0.216
11 C03 C C10 N N N 0 1.265 -4.069 0.59
12 C04 C C11 N N N 0 0.995 -1.903 -0.625
13 C05 C C12 N N N 0 1.325 -1.086 0.626
14 C06 C C13 N Y N 0 2.013 0.193 0.223
15 C07 C C14 N Y N 0 1.421 1.38 -0.063
16 C09 C C15 N Y N 0 3.612 1.726 -0.309
17 C10 C C16 N Y N 0 3.456 0.405 0.07
18 C21 C C17 N N N 0 -4.536 0.908 -0.185
19 C22 C C18 N N N 0 -5.699 -0.056 -0.433
20 C24 C C19 N N N 0 -4.368 -1.884 0.428
21 N08 N N2 N Y N 0 2.393 2.294 -0.385
22 N19 N N3 N Y N 0 -0.939 0.681 -0.199
23 N23 N N4 N N N 0 -5.638 -1.154 0.541
24 O13 O O1 N N N 0 4.84 -1.325 -0.628
25 S17 S S1 N Y N 0 -2.296 2.768 0.135
26 H123 H H1 N N N 0 4.738 -1.442 2.217
27 H121 H H2 N N N 0 6.263 -0.929 1.455
28 H143 H H5 N N N 0 5.609 1.709 -1.059
29 H122 H H3 N N N 0 5.147 0.288 2.12
30 H142 H H4 N N N 0 5.353 2.772 0.345
31 H141 H H6 N N N 0 4.755 3.257 -1.259
32 H252 H H7 N N N 0 -2.261 -1.454 0.565
33 H251 H H8 N N N 0 -3.277 -0.516 1.686
34 H161 H H9 N N N 0 0.037 3.779 0.317
35 H012 H H10 N N N 0 0.729 -4.193 -2.08
36 H011 H H11 N N N 0 -0.642 -4.885 -1.179
37 H013 H H12 N N N 0 -0.834 -3.342 -2.045
38 H021 H H13 N N N 0 -0.576 -2.969 0.393
39 H033 H H14 N N N 0 2.138 -4.303 -0.02
40 H032 H H15 N N N 0 1.579 -3.53 1.483
41 H031 H H16 N N N 0 0.767 -4.995 0.881
42 H041 H H17 N N N 0 1.916 -2.138 -1.159
43 H042 H H18 N N N 0 0.337 -1.325 -1.273
44 H052 H H19 N N N 0 0.404 -0.851 1.16
45 H051 H H20 N N N 0 1.983 -1.664 1.274
46 H211 H H21 N N N 0 -4.624 1.334 0.814
47 H212 H H22 N N N 0 -4.563 1.708 -0.925
48 H221 H H23 N N N 0 -6.643 0.478 -0.322
49 H222 H H24 N N N 0 -5.627 -0.461 -1.443
50 H241 H H25 N N N 0 -4.28 -2.31 -0.571
51 H242 H H26 N N N 0 -4.342 -2.684 1.168
52 H081 H H27 N N N 0 2.227 3.218 -0.628
53 H231 H H28 N N N 0 -5.777 -0.812 1.48