Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 13J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 71


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -1.351 -3.181 1.984
2 C10 C C10 N Y N 0 2.445 -2.509 -0.378
3 C11 C C11 N Y N 0 0.107 -1.84 0.617
4 C12 C C12 N Y N 0 -2.252 -1.358 0.697
5 C13 C C13 N Y N 0 -7.852 1.655 -0.201
6 C14 C C14 N Y N 0 -5.719 0.0060 0.423
7 C15 C C15 N Y N 0 1.465 -1.537 0.106
8 C16 C C16 N Y N 0 3.582 -1.772 -0.758
9 C17 C C17 N Y N 0 2.468 -3.905 -0.529
10 C18 C C18 N N N 0 -3.411 -0.547 0.268
11 C19 C C19 N N N 0 6.462 2.809 0.901
12 C2 C C2 N Y N 0 -0.086 -2.896 1.507
13 C20 C C20 N N N 0 4.536 2.779 -2.057
14 C21 C C21 N N N 0 3.571 1.627 -1.768
15 C22 C C22 N N N 0 4.818 3.542 -0.759
16 C23 C C23 N N N 0 4.492 1.398 0.542
17 C24 C C24 S N N 0 4.213 0.66 -0.771
18 C25 C C25 N N N 0 8.538 4.043 1.461
19 C26 C C26 N N N 0 -9.626 2.109 -1.874
20 C27 C C27 N N N 0 -10.07 2.462 0.56
21 C28 C C28 N N N 0 7.279 4.037 0.592
22 C29 C C29 N N N 0 -9.013 2.552 -0.543
23 C3 C C3 N Y N 0 -2.431 -2.416 1.592
24 C4 C C4 N Y N 0 -6.587 2.191 -0.048
25 C5 C C5 N Y N 0 -8.054 0.296 -0.04
26 C6 C C6 N Y N 0 -5.521 1.372 0.266
27 C7 C C7 N Y N 0 -6.992 -0.529 0.273
28 C8 C C8 N Y N 0 -0.979 -1.07 0.209
29 C9 C C9 N Y N 0 4.615 -3.738 -1.36
30 H1 H H1 N N N 0 -6.433 3.253 -0.17
31 H10 H H10 N N N 0 -10.466 2.758 -2.121
32 H11 H H11 N N N 0 -8.873 2.173 -2.659
33 H12 H H12 N N N 0 -9.975 1.08 -1.788
34 H13 H H13 N N N 0 -1.494 -4.0 2.672
35 H14 H H14 N N N 0 0.755 -3.499 1.818
36 H15 H H15 N N N 0 -3.417 -2.643 1.968
37 H16 H H16 N N N 0 -9.043 -0.12 -0.161
38 H17 H H17 N N N 0 5.579 4.301 -0.94
39 H18 H H18 N N N 0 3.903 4.018 -0.409
40 H19 H H19 N N N 0 3.55 1.697 1.0
41 H2 H H2 N N N 0 -7.15 -1.591 0.395
42 H20 H H20 N N N 0 5.039 0.743 1.221
43 H21 H H21 N N N 0 5.15 0.282 -1.182
44 H22 H H22 N N N 0 8.254 4.051 2.513
45 H23 H H23 N N N 0 9.129 3.152 1.25
46 H24 H H24 N N N 0 9.129 4.931 1.238
47 H25 H H25 N N N 0 -9.633 2.778 1.507
48 H26 H H26 N N N 0 -10.91 3.111 0.312
49 H27 H H27 N N N 0 -10.419 1.433 0.645
50 H28 H H28 N N N 0 7.563 4.03 -0.46
51 H29 H H29 N N N 0 6.688 4.929 0.803
52 H3 H H3 N N N 0 -4.533 1.792 0.389
53 H30 H H30 N N N 0 -8.664 3.581 -0.629
54 H31 H H31 N N N 0 0.513 -4.256 -0.035
55 H32 H H32 N N N 0 1.477 -5.632 -0.056
56 H33 H H33 N N N 0 -4.78 -1.606 1.302
57 H4 H H4 N N N 0 5.488 -4.237 -1.756
58 H5 H H5 N N N 0 5.469 2.381 -2.456
59 H6 H H6 N N N 0 4.087 3.454 -2.786
60 H7 H H7 N N N 0 2.648 2.023 -1.347
61 H8 H H8 N N N 0 3.349 1.097 -2.695
62 H9 H H9 N N N 0 -0.835 -0.251 -0.48
63 N30 N N30 N Y N 0 4.637 -2.429 -1.241
64 N31 N N31 N Y N 0 3.568 -4.468 -1.02
65 N32 N N32 N Y N 0 2.01 -0.348 0.0060
66 N33 N N33 N Y N 0 3.303 -0.46 -0.519
67 N34 N N34 N N N 0 5.301 2.592 0.252
68 N35 N N35 N N N 0 1.378 -4.674 -0.171
69 N36 N N36 N N N 0 -4.642 -0.827 0.741
70 O37 O O37 N N N 0 -3.254 0.373 -0.511
71 O38 O O38 N N N 0 6.849 2.017 1.734