Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KKX

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 N1 N N1 N Y N 0 -3.209 0.355 2.656
2 N3 N N2 N N N 0 3.265 0.485 1.609
3 C4 C C1 N Y N 0 -2.549 1.293 0.171
4 C5 C C2 N Y N 0 -2.474 -0.06 0.463
5 C6 C C3 N N N 0 -2.026 -1.042 -0.587
6 C7 C C4 N N N 0 -3.748 2.579 3.514
7 C8 C C5 N N N 0 -2.186 1.809 -1.197
8 C10 C C6 N N N 0 -0.406 2.341 -3.641
9 C13 C C7 N N N 0 3.27 0.477 -0.837
10 C15 C C8 N N N 0 5.08 -0.63 0.446
11 C17 C C9 N N N 0 2.194 0.748 3.823
12 C1 C C10 N Y N 0 -2.816 -0.497 1.729
13 C2 C C11 N Y N 0 -3.293 1.649 2.42
14 C3 C C12 N Y N 0 -2.968 2.163 1.173
15 O1 O O1 N N N 0 -1.987 -2.356 -0.025
16 O2 O O2 N N N 0 -3.057 3.498 0.933
17 N2 N N3 N N N 0 -0.761 2.164 -1.225
18 C9 C C13 S N N 0 -0.086 1.546 -2.374
19 O3 O O3 N N N 0 0.152 3.652 -3.536
20 C11 C C14 S N N 0 1.425 1.548 -2.139
21 P1 P P1 N N N 0 -1.771 -3.683 -0.911
22 O4 O O4 N N N 0 -1.719 -4.97 0.054
23 O5 O O5 N N N 0 -2.894 -3.826 -1.865
24 O6 O O6 N N N 0 -0.387 -3.566 -1.725
25 C12 C C15 N N N 0 1.755 0.669 -0.93
26 O7 O O7 N N N 0 1.867 2.884 -1.89
27 C14 C C16 S N N 0 3.607 -0.313 0.429
28 O8 O O8 N N N 0 5.773 -0.23 1.351
29 O9 O O9 N N N 0 5.622 -1.357 -0.544
30 C16 C C17 N N N 0 2.652 -0.094 2.66
31 O10 O O10 N N N 0 2.468 -1.293 2.67
32 H1 H H1 N N N 0 3.481 1.431 1.634
33 H2 H H2 N N N 0 -2.726 -1.026 -1.423
34 H3 H H3 N N N 0 -1.032 -0.768 -0.941
35 H4 H H4 N N N 0 -2.883 2.923 4.082
36 H5 H H5 N N N 0 -4.258 3.436 3.075
37 H6 H H6 N N N 0 -4.432 2.051 4.179
38 H7 H H7 N N N 0 -2.382 1.036 -1.941
39 H8 H H8 N N N 0 -2.785 2.691 -1.424
40 H9 H H9 N N N 0 0.021 1.832 -4.506
41 H10 H H10 N N N 0 -1.487 2.415 -3.761
42 H11 H H11 N N N 0 3.622 -0.07 -1.711
43 H12 H H12 N N N 0 3.757 1.451 -0.797
44 H13 H H13 N N N 0 1.172 1.084 3.648
45 H20 H H20 N N N 0 -0.435 0.52 -2.49
46 H14 H H14 N N N 0 2.231 0.156 4.737
47 H15 H H15 N N N 0 2.849 1.614 3.924
48 H16 H H16 N N N 0 -2.759 -1.55 1.962
49 H17 H H17 N N N 0 -3.921 3.781 0.603
50 H18 H H18 N N N 0 -0.308 1.91 -0.36
51 H21 H H21 N N N 0 -0.012 4.213 -4.306
52 H22 H H22 N N N 0 1.931 1.156 -3.021
53 H23 H H23 N N N 0 -1.592 -5.807 -0.413
54 H24 H H24 N N N 0 0.384 -3.393 -1.167
55 H25 H H25 N N N 0 1.272 -0.302 -1.045
56 H26 H H26 N N N 0 1.393 1.15 -0.022
57 H27 H H27 N N N 0 1.458 3.296 -1.117
58 H28 H H28 N N N 0 3.035 -1.242 0.441
59 H29 H H29 N N N 0 6.571 -1.535 -0.489