Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KJS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 72


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N Y N 0 4.743 3.356 -0.569
2 C5 C C2 N Y N 0 3.406 3.11 -0.325
3 C6 C C3 N Y N 0 3.02 1.937 0.297
4 N2 N N2 N N N 0 0.721 -3.754 0.101
5 N1 N N1 N Y N 0 -1.001 -0.444 0.232
6 C7 C C4 N N N 0 1.56 1.671 0.561
7 C8 C C5 N N N 0 0.95 0.938 -0.635
8 C9 C C6 N Y N 0 -0.51 0.672 -0.37
9 C10 C C7 N Y N 0 -2.667 0.93 -0.306
10 C11 C C8 N Y N 0 -3.994 1.354 -0.397
11 C12 C C9 N Y N 0 -5.006 0.544 0.099
12 N3 N N3 N Y N 0 -8.532 1.127 -0.518
13 C13 C C10 N Y N 0 -4.699 -0.686 0.687
14 C14 C C11 N Y N 0 -3.402 -1.106 0.78
15 C15 C C12 N Y N 0 -2.375 -0.31 0.289
16 C26 C C13 N N N 0 -7.394 -0.826 -1.617
17 C25 C C14 N Y N 0 -7.478 0.398 -0.742
18 O2 O O1 N Y N 0 -8.295 2.046 0.229
19 C23 C C15 N Y N 0 -7.011 2.056 0.616
20 C24 C C16 N N N 0 -6.353 3.047 1.541
21 C22 C C17 N Y N 0 -6.42 0.987 0.005
22 N N N4 N Y N 0 -1.483 1.476 -0.685
23 C16 C C18 N N N 0 -0.219 -1.581 0.725
24 C17 C C19 N N N 0 -0.063 -2.614 -0.392
25 C21 C C20 N N N 0 0.693 -4.868 -0.858
26 C20 C C21 N N N 0 1.471 -6.053 -0.278
27 O1 O O2 N N N 0 2.804 -5.637 0.03
28 C19 C C22 N N N 0 2.868 -4.554 0.962
29 C18 C C23 N N N 0 2.105 -3.354 0.395
30 C27 C C24 N Y N 0 3.97 1.007 0.675
31 C28 C C25 N Y N 0 5.309 1.248 0.433
32 C3 C C26 N Y N 0 5.699 2.425 -0.19
33 O O O3 N N N 0 7.014 2.662 -0.435
34 C2 C C27 N N N 0 7.943 1.659 -0.017
35 C1 C C28 N N N 0 9.364 2.099 -0.375
36 C C C29 N N N 0 10.358 1.025 0.073
37 H1 H H1 N N N 0 5.044 4.271 -1.059
38 H2 H H2 N N N 0 2.661 3.835 -0.62
39 H3 H H3 N N N 0 1.459 1.055 1.455
40 H4 H H4 N N N 0 1.04 2.617 0.712
41 H5 H H5 N N N 0 1.051 1.554 -1.528
42 H6 H H6 N N N 0 1.47 -0.008 -0.785
43 H8 H H8 N N N 0 -4.232 2.304 -0.851
44 H9 H H9 N N N 0 -5.492 -1.31 1.071
45 H10 H H10 N N N 0 -3.174 -2.058 1.237
46 H11 H H11 N N N 0 -7.613 -1.713 -1.023
47 H12 H H12 N N N 0 -8.119 -0.744 -2.427
48 H13 H H13 N N N 0 -6.391 -0.906 -2.034
49 H14 H H14 N N N 0 -7.088 3.784 1.865
50 H15 H H15 N N N 0 -5.955 2.524 2.411
51 H16 H H16 N N N 0 -5.541 3.55 1.016
52 H17 H H17 N N N 0 0.765 -1.235 1.041
53 H18 H H18 N N N 0 -0.733 -2.036 1.571
54 H19 H H19 N N N 0 0.451 -2.159 -1.239
55 H20 H H20 N N N 0 -1.047 -2.96 -0.708
56 H21 H H21 N N N 0 -0.339 -5.165 -1.041
57 H22 H H22 N N N 0 1.153 -4.553 -1.794
58 H23 H H23 N N N 0 0.979 -6.402 0.63
59 H24 H H24 N N N 0 1.501 -6.861 -1.01
60 H25 H H25 N N N 0 2.417 -4.859 1.906
61 H26 H H26 N N N 0 3.91 -4.278 1.128
62 H27 H H27 N N N 0 2.588 -3.015 -0.521
63 H28 H H28 N N N 0 2.103 -2.546 1.127
64 H29 H H29 N N N 0 3.666 0.092 1.161
65 H30 H H30 N N N 0 6.051 0.522 0.729
66 H31 H H31 N N N 0 7.866 1.519 1.061
67 H32 H H32 N N N 0 7.715 0.72 -0.522
68 H33 H H33 N N N 0 9.441 2.239 -1.453
69 H34 H H34 N N N 0 9.591 3.037 0.131
70 H35 H H35 N N N 0 11.37 1.339 -0.182
71 H36 H H36 N N N 0 10.281 0.885 1.151
72 H37 H H37 N N N 0 10.13 0.086 -0.432