Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B4A

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N12 N N1 N N N 0 5.792 -1.543 0.915
2 C13 C C1 N N N 0 6.984 -1.234 0.366
3 C15 C C2 N Y N 0 9.321 -1.65 -0.282
4 C17 C C3 N Y N 0 10.619 -1.275 -2.259
5 C20 C C4 N Y N 0 10.247 -0.94 0.46
6 C26 C C5 N Y N 0 -4.992 0.768 -0.987
7 C28 C C6 N N N 0 -7.083 -0.353 -0.914
8 C01 C C7 N N N 0 0.005 3.283 1.588
9 C02 C C8 N N N 0 -1.269 2.458 1.394
10 N03 N N2 N N N 0 -1.632 2.443 -0.028
11 C04 C C9 N N N 0 -0.581 1.813 -0.838
12 C05 C C10 N N N 0 0.714 2.618 -0.711
13 C06 C C11 N N N 0 1.136 2.667 0.76
14 N07 N N3 N N N 0 1.408 1.309 1.237
15 C08 C C12 N Y N 0 2.661 0.742 1.04
16 N09 N N4 N Y N 0 3.663 1.318 0.452
17 N10 N N5 N Y N 0 4.815 0.567 0.367
18 C11 C C13 N Y N 0 4.752 -0.618 0.887
19 C14 C C14 N N N 0 8.108 -2.238 0.391
20 C16 C C15 N Y N 0 9.505 -1.814 -1.642
21 C18 C C16 N Y N 0 11.547 -0.571 -1.516
22 C19 C C17 N Y N 0 11.36 -0.401 -0.157
23 O21 O O1 N N N 0 7.152 -0.148 -0.147
24 S22 S S1 N Y N 0 3.144 -0.87 1.558
25 C23 C C18 N Y N 0 -2.855 1.813 -0.223
26 N24 N N6 N Y N 0 -3.594 1.301 0.711
27 N25 N N7 N Y N 0 -4.772 0.725 0.289
28 N27 N N8 N N N 0 -6.115 0.254 -1.629
29 C29 C C19 N N N 0 -8.299 -0.909 -1.609
30 C30 C C20 N Y N 0 -9.22 -1.53 -0.591
31 C31 C C21 N Y N 0 -10.2 -0.765 0.012
32 C32 C C22 N Y N 0 -11.045 -1.335 0.946
33 C33 C C23 N Y N 0 -10.909 -2.671 1.277
34 C34 C C24 N Y N 0 -9.929 -3.436 0.673
35 C35 C C25 N Y N 0 -9.087 -2.867 -0.265
36 O36 O O2 N N N 0 -6.975 -0.452 0.29
37 S37 S S2 N Y N 0 -3.648 1.584 -1.778
38 H1 H H1 N N N 0 5.658 -2.411 1.325
39 H2 H H2 N N N 0 10.763 -1.404 -3.321
40 H3 H H3 N N N 0 10.101 -0.808 1.522
41 H4 H H4 N N N 0 -0.171 4.307 1.259
42 H5 H H5 N N N 0 0.283 3.281 2.642
43 H6 H H6 N N N 0 -1.097 1.438 1.736
44 H7 H H7 N N N 0 -2.08 2.902 1.971
45 H8 H H8 N N N 0 -0.412 0.795 -0.486
46 H9 H H9 N N N 0 -0.893 1.789 -1.882
47 H10 H H10 N N N 0 1.498 2.142 -1.299
48 H11 H H11 N N N 0 0.549 3.632 -1.077
49 H12 H H12 N N N 0 2.035 3.276 0.861
50 H13 H H13 N N N 0 0.714 0.805 1.689
51 H14 H H14 N N N 0 8.35 -2.487 1.424
52 H15 H H15 N N N 0 7.801 -3.14 -0.138
53 H16 H H16 N N N 0 8.78 -2.365 -2.222
54 H17 H H17 N N N 0 12.417 -0.149 -1.998
55 H18 H H18 N N N 0 12.086 0.15 0.424
56 H19 H H19 N N N 0 -6.202 0.333 -2.592
57 H20 H H20 N N N 0 -8.82 -0.104 -2.128
58 H21 H H21 N N N 0 -7.99 -1.666 -2.33
59 H22 H H22 N N N 0 -10.306 0.278 -0.246
60 H23 H H23 N N N 0 -11.811 -0.738 1.418
61 H24 H H24 N N N 0 -11.569 -3.116 2.007
62 H25 H H25 N N N 0 -9.822 -4.479 0.932
63 H26 H H26 N N N 0 -8.321 -3.465 -0.736