Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8KK

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 0.982 -1.914 1.094
2 C11 C C2 N N N 0 2.995 -0.556 0.897
3 C12 C C3 N N N 0 4.905 0.874 0.834
4 C13 C C4 N Y N 0 6.2 1.027 0.079
5 C14 C C5 N Y N 0 6.245 1.796 -1.069
6 N01 N N1 N N N 0 -1.84 -1.505 0.828
7 C15 C C6 N Y N 0 7.433 1.936 -1.761
8 C16 C C7 N Y N 0 8.577 1.307 -1.305
9 O01 O O1 N N N 0 -0.328 -1.754 -1.382
10 P01 P P1 N N N 0 -0.356 -1.158 0.114
11 C01 C C8 S N N 0 -2.95 -1.004 0.006
12 C02 C C9 N N N 0 -4.125 -1.982 0.085
13 C03 C C10 N N N 0 -3.724 -3.313 -0.553
14 C04 C C11 N N N 0 -4.84 -4.337 -0.34
15 C05 C C12 N N N 0 -3.495 -3.112 -2.052
16 C06 C C13 N N N 0 -3.385 0.345 0.518
17 N02 N N2 N N N 0 -4.395 1.001 -0.086
18 C07 C C14 N N N 0 -4.818 2.313 0.41
19 C08 C C15 N N N 0 -5.974 2.835 -0.445
20 C09 C C16 N N N 0 -6.415 4.205 0.074
21 N03 N N3 N N N 0 -7.524 4.706 -0.748
22 O02 O O2 N N N 0 -2.825 0.841 1.472
23 O03 O O3 N N N 0 -0.164 0.309 0.064
24 N04 N N4 N N N 0 2.273 -1.612 0.472
25 O04 O O4 N N N 0 4.182 -0.278 0.326
26 C17 C C17 N Y N 0 8.532 0.538 -0.157
27 C18 C C18 N Y N 0 7.345 0.403 0.539
28 O05 O O5 N N N 0 2.575 0.146 1.796
29 H1 H H1 N N N 0 0.962 -1.51 2.107
30 H2 H H2 N N N 0 0.84 -2.994 1.131
31 H3 H H3 N N N 0 5.116 0.732 1.894
32 H4 H H4 N N N 0 4.299 1.77 0.701
33 H5 H H5 N N N 0 5.352 2.286 -1.425
34 H6 H H6 N N N 0 7.468 2.536 -2.658
35 H7 H H7 N N N 0 9.505 1.416 -1.846
36 H8 H H8 N N N 0 -0.371 -2.719 -1.421
37 H9 H H9 N N N 0 -1.936 -2.494 1.001
38 H10 H H10 N N N 0 -2.623 -0.912 -1.029
39 H11 H H11 N N N 0 -4.392 -2.145 1.129
40 H12 H H12 N N N 0 -4.98 -1.566 -0.448
41 H13 H H13 N N N 0 -2.805 -3.675 -0.091
42 H14 H H14 N N N 0 -5.759 -3.975 -0.802
43 H15 H H15 N N N 0 -4.555 -5.286 -0.795
44 H16 H H16 N N N 0 -5.003 -4.481 0.728
45 H17 H H17 N N N 0 -4.414 -2.749 -2.514
46 H18 H H18 N N N 0 -2.7 -2.382 -2.204
47 H19 H H19 N N N 0 -3.21 -4.06 -2.507
48 H20 H H20 N N N 0 -4.843 0.605 -0.85
49 H21 H H21 N N N 0 -5.145 2.221 1.446
50 H22 H H22 N N N 0 -3.981 3.01 0.354
51 H23 H H23 N N N 0 -5.646 2.927 -1.481
52 H24 H H24 N N N 0 -6.81 2.138 -0.389
53 H25 H H25 N N N 0 -6.742 4.113 1.109
54 H32 H H32 N N N 0 7.311 -0.197 1.436
55 H26 H H26 N N N 0 -5.578 4.901 0.017
56 H27 H H27 N N N 0 -8.288 4.047 -0.765
57 H28 H H28 N N N 0 -7.834 5.61 -0.425
58 H30 H H30 N N N 0 2.609 -2.172 -0.245
59 H31 H H31 N N N 0 9.427 0.051 0.202