Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HK3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 47


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 -9.325 1.312 -0.018
2 C1 C C1 N Y N 0 -8.021 0.932 -0.014
3 C6 C C6 N Y N 0 -7.692 -0.418 -0.012
4 C5 C C5 N Y N 0 -6.37 -0.808 -0.009
5 C4 C C4 N Y N 0 -5.361 0.156 -0.008
6 C3 C C3 N Y N 0 -5.694 1.511 -0.01
7 C2 C C2 N Y N 0 -7.018 1.893 -0.019
8 C7 C C7 N Y N 0 -3.939 -0.259 -0.004
9 C12 C C12 N Y N 0 -2.931 0.707 -0.003
10 C11 C C11 N Y N 0 -1.619 0.327 0.001
11 C10 C C10 N Y N 0 -1.286 -1.033 0.004
12 C9 C C9 N Y N 0 -2.298 -2.0 0.004
13 C8 C C8 N Y N 0 -3.608 -1.616 0.005
14 C13 C C13 N N N 0 0.129 -1.445 0.003
15 C15 C C15 N N N 0 1.311 -0.573 0.003
16 C16 C C16 N N N 0 1.808 0.724 0.005
17 C17 C C17 N N N 0 3.221 0.695 0.003
18 C24 C C24 N N N 0 3.635 -0.66 0.001
19 C14 C C14 N N N 0 2.404 -1.484 0.001
20 N2 N N2 N N N 0 1.89 -2.695 0.0
21 N1 N N1 N N N 0 0.608 -2.689 0.006
22 C23 C C23 N N N 0 4.982 -0.97 -0.001
23 C21 C C21 N N N 0 5.932 0.051 -0.001
24 O3 O O3 N N N 0 7.253 -0.257 -0.003
25 C22 C C22 N N N 0 7.596 -1.644 -0.005
26 C19 C C19 N N N 0 5.53 1.387 0.001
27 C18 C C18 N N N 0 4.188 1.713 0.004
28 O2 O O2 N N N 0 6.466 2.374 0.0
29 C20 C C20 N N N 0 5.988 3.721 0.002
30 H1 H H1 N N N 0 -9.704 1.423 0.865
31 H2 H H2 N N N 0 -8.474 -1.163 -0.012
32 H3 H H3 N N N 0 -6.116 -1.857 -0.006
33 H4 H H4 N N N 0 -4.915 2.259 -0.01
34 H5 H H5 N N N 0 -7.277 2.942 -0.021
35 H6 H H6 N N N 0 -3.188 1.756 -0.006
36 H7 H H7 N N N 0 -0.839 1.074 0.001
37 H8 H H8 N N N 0 -2.042 -3.049 0.006
38 H9 H H9 N N N 0 -4.389 -2.362 0.005
39 H10 H H10 N N N 0 1.204 1.62 0.006
40 H11 H H11 N N N 0 5.298 -2.002 -0.003
41 H222 H H222 N N N 0 7.183 -2.119 -0.896
42 H223 H H223 N N N 0 8.681 -1.75 -0.007
43 H221 H H221 N N N 0 7.186 -2.121 0.884
44 H12 H H12 N N N 0 3.883 2.749 0.006
45 H203 H H203 N N N 0 6.835 4.407 0.002
46 H201 H H201 N N N 0 5.381 3.892 -0.887
47 H202 H H202 N N N 0 5.384 3.891 0.893