Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : O9I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


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 -6.664 1.413 -0.484
2 C2 C C2 N Y N 0 -5.922 0.313 -0.872
3 C3 C C3 N Y N 0 -6.434 0.75 1.815
4 C4 C C4 N Y N 0 -5.701 -0.357 1.418
5 C5 C C5 N Y N 0 -5.441 -0.57 0.077
6 C6 C C6 N Y N 0 -2.805 -1.477 -0.443
7 C7 C C7 N Y N 0 -2.03 -1.619 0.694
8 C8 C C8 N Y N 0 -0.703 -1.233 0.679
9 C9 C C9 N Y N 0 -0.15 -0.705 -0.473
10 C10 C C10 N N N 0 1.297 -0.284 -0.489
11 C11 C C11 N Y N 0 4.574 -0.573 0.045
12 C15 C C12 N Y N 0 5.043 1.186 1.628
13 C16 C C13 N Y N 0 4.351 0.721 0.511
14 C18 C C14 N Y N 0 3.611 2.005 -1.494
15 C19 C C15 N Y N 0 2.705 2.824 -2.134
16 C20 C C16 N Y N 0 1.564 3.253 -1.469
17 C21 C C17 N Y N 0 1.332 2.858 -0.158
18 C22 C C18 N Y N 0 2.234 2.038 0.487
19 C23 C C19 N Y N 0 -0.924 -0.564 -1.61
20 O8 O O1 N N N 0 -4.622 -2.932 0.615
21 S S S1 N N N 0 -4.496 -1.97 -0.424
22 O7 O O2 N N N 0 -4.853 -2.232 -1.774
23 O1 O O3 N N N 0 -6.69 0.961 3.134
24 C C C20 N Y N 0 -6.923 1.636 0.859
25 O O O4 N N N 0 -7.652 2.718 1.243
26 C24 C C21 N Y N 0 -2.253 -0.944 -1.593
27 N N N1 N N N 0 2.13 -1.417 -0.901
28 S1 S S2 N N N 0 3.699 -1.164 -1.367
29 O2 O O5 N N N 0 3.673 -0.092 -2.3
30 O6 O O6 N N N 0 4.24 -2.443 -1.667
31 C14 C C22 N Y N 0 5.95 0.361 2.269
32 O4 O O7 N N N 0 6.627 0.812 3.359
33 C13 C C23 N Y N 0 6.173 -0.929 1.796
34 O3 O O8 N N N 0 7.064 -1.74 2.426
35 C12 C C24 N Y N 0 5.483 -1.391 0.684
36 C17 C C25 N Y N 0 3.378 1.602 -0.18
37 O5 O O9 N N N 0 0.673 4.06 -2.101
38 H1 H H1 N N N 0 -7.038 2.102 -1.227
39 H2 H H2 N N N 0 -5.717 0.144 -1.918
40 H4 H H3 N N N 0 -5.333 -1.054 2.157
41 H5 H H4 N N N 0 -2.463 -2.032 1.593
42 H6 H H5 N N N 0 -0.099 -1.343 1.567
43 H7 H H6 N N N 0 1.428 0.538 -1.193
44 H8 H H7 N N N 0 1.592 0.041 0.508
45 H13 H H8 N N N 0 4.872 2.188 1.991
46 H14 H H9 N N N 0 4.499 1.672 -2.011
47 H15 H H10 N N N 0 2.883 3.134 -3.153
48 H17 H H11 N N N 0 0.443 3.193 0.357
49 H18 H H12 N N N 0 2.053 1.731 1.507
50 H19 H H13 N N N 0 -0.491 -0.153 -2.51
51 H3 H H14 N N N 0 -6.019 1.49 3.585
52 H H H15 N N N 0 -8.604 2.554 1.29
53 H20 H H16 N N N 0 -2.857 -0.834 -2.481
54 H9 H H17 N N N 0 1.763 -2.315 -0.9
55 H12 H H18 N N N 0 6.178 0.642 4.199
56 H11 H H19 N N N 0 6.677 -2.277 3.131
57 H10 H H20 N N N 0 5.658 -2.392 0.319
58 H16 H H21 N N N 0 -0.021 3.584 -2.576