Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 3BI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 11.422 1.039 -1.315
2 C2 C C2 N Y N 0 8.248 -1.264 -0.178
3 N3 N N3 N N N 0 9.176 -3.057 -1.612
4 C4 C C4 N Y N 0 6.482 -0.183 1.526
5 N5 N N5 N Y N 0 7.506 0.557 1.156
6 C6 C C6 N N N 0 5.146 -2.306 1.481
7 C7 C C7 N N N 0 3.997 -3.12 -0.63
8 C9 C C9 N Y N 0 2.253 0.713 1.82
9 C11 C C11 N Y N 0 3.121 -1.175 0.622
10 C12 C C12 N Y N 0 2.1 -1.059 -0.318
11 C13 C C13 N Y N 0 1.158 -0.063 -0.194
12 C14 C C14 N N N 0 0.219 1.9 1.014
13 C15 C C15 R N N 0 -1.771 3.075 0.241
14 C16 C C16 N N N 0 -1.248 4.342 -0.383
15 C C C N Y N 0 10.349 0.255 -0.934
16 O O O N N N 0 0.28 2.678 1.947
17 N N N N Y N 0 9.469 0.766 -0.097
18 O1 O O1 N N N 0 -2.0 5.454 -0.376
19 O2 O O2 N N N 0 -0.151 4.359 -0.889
20 O8 O O8 N N N 0 -6.118 2.089 -0.671
21 P P P R N N 0 -5.195 0.934 -0.598
22 O7 O O7 N N N 0 -4.849 0.428 -2.086
23 C19 C C19 N N N 0 -5.985 -0.417 0.336
24 C20 C C20 S N N 0 -7.335 -0.755 -0.301
25 C24 C C24 N N N 0 -8.337 0.314 0.049
26 O6 O O6 N N N 0 -8.006 1.251 0.737
27 O5 O O5 N N N 0 -9.598 0.227 -0.404
28 C21 C C21 N N N 0 -7.824 -2.105 0.227
29 C22 C C22 N N N 0 -9.11 -2.502 -0.501
30 C23 C C23 N N N 0 -9.592 -3.831 0.02
31 O4 O O4 N N N 0 -10.712 -4.38 -0.477
32 O3 O O3 N N N 0 -8.971 -4.403 0.884
33 C18 C C18 N N N 0 -3.658 1.437 0.245
34 C17 C C17 N N N 0 -3.06 2.652 -0.467
35 N7 N N7 N N N 0 -0.77 2.014 0.105
36 C8 C C8 N Y N 0 1.227 0.832 0.878
37 C10 C C10 N Y N 0 3.192 -0.285 1.69
38 N6 N N6 N N N 0 4.071 -2.182 0.493
39 C3 C C3 N Y N 0 6.328 -1.481 1.042
40 N4 N N4 N Y N 0 7.206 -1.994 0.207
41 C5 C C5 N Y N 0 8.409 0.056 0.31
42 C1 C C1 N Y N 0 9.262 -1.781 -1.1
43 N2 N N2 N Y N 0 10.264 -0.977 -1.426
44 HN1 H HN1 N N N 0 11.511 1.94 -0.968
45 HN1A H HN1A N N N 0 12.087 0.687 -1.927
46 HN3 H HN3 N N N 0 8.434 -3.631 -1.363
47 HN3A H HN3A N N N 0 9.857 -3.382 -2.222
48 H4 H H4 N N N 0 5.752 0.221 2.211
49 H6 H H6 N N N 0 4.793 -1.949 2.448
50 H6A H H6A N N N 0 5.443 -3.351 1.566
51 H7 H H7 N N N 0 3.389 -3.98 -0.346
52 H7A H H7A N N N 0 3.545 -2.624 -1.488
53 H9 H H9 N N N 0 2.312 1.406 2.646
54 H12 H H12 N N N 0 2.047 -1.751 -1.145
55 H13 H H13 N N N 0 0.367 0.026 -0.923
56 H15 H H15 N N N 0 -1.976 3.247 1.298
57 H19 H H19 N N N 0 -5.343 -1.298 0.314
58 H19A H H19A N N N 0 -6.139 -0.105 1.368
59 H20 H H20 N N N 0 -7.223 -0.808 -1.384
60 H21 H H21 N N N 0 -7.06 -2.862 0.053
61 H21A H H21A N N N 0 -8.021 -2.027 1.296
62 H22 H H22 N N N 0 -9.875 -1.745 -0.326
63 H22A H H22A N N N 0 -8.913 -2.58 -1.57
64 H18 H H18 N N N 0 -3.88 1.696 1.281
65 H18A H H18A N N N 0 -2.944 0.614 0.221
66 H17 H H17 N N N 0 -3.774 3.476 -0.442
67 H17A H H17A N N N 0 -2.839 2.394 -1.502
68 HN7 H HN7 N N N 0 -0.818 1.393 -0.639
69 H10 H H10 N N N 0 3.985 -0.377 2.417
70 H27 H H27 N N N 0 -10.982 -5.234 -0.112
71 H28 H H28 N N N 0 -4.247 -0.328 -2.115
72 H29 H H29 N N N 0 -1.622 6.243 -0.789
73 H30 H H30 N N N 0 -10.205 0.937 -0.153
74 H7B H H7B N N N 0 5.001 -3.455 -0.89