Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : OIJ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 6.51 -0.549 0.647
2 C2 C C2 N N N 0 6.428 0.978 0.593
3 C3 C C3 N N N 0 5.517 1.396 -0.565
4 N4 N N1 N Y N 0 1.501 -0.55 -0.378
5 C5 C C4 N Y N 0 2.005 3.523 -0.415
6 C6 C C5 N Y N 0 0.772 2.944 -0.399
7 C7 C C6 N Y N 0 0.688 1.539 -0.388
8 C8 C C7 N Y N 0 -0.373 0.635 -0.373
9 C10 C C8 N Y N 0 -2.43 1.459 -1.517
10 C11 C C9 N Y N 0 -3.772 1.766 -1.509
11 C12 C C10 N Y N 0 -4.528 1.592 -0.35
12 C13 C C11 N N N 0 -6.227 1.531 1.161
13 C14 C C12 N N N 0 -4.98 1.033 1.86
14 C15 C C13 N Y N 0 -3.909 1.105 0.796
15 C16 C C14 N Y N 0 -2.57 0.795 0.799
16 C19 C C15 N Y N 0 -1.78 -2.034 -1.046
17 C21 C C16 N Y N 0 -2.004 -4.304 -0.314
18 C22 C C17 N Y N 0 -0.808 -4.207 0.378
19 C23 C C18 N Y N 0 -0.09 -3.029 0.358
20 C24 C C19 N N N 0 4.189 -0.734 -0.258
21 C25 C C20 N N N 0 5.115 -1.128 0.896
22 C17 C C21 N Y N 0 0.186 -0.66 -0.367
23 C18 C C22 N Y N 0 -0.576 -1.932 -0.351
24 C20 C C23 N Y N 0 -2.488 -3.218 -1.024
25 C4 C C24 N Y N 0 3.05 1.456 -0.406
26 C9 C C25 N Y N 0 -1.814 0.971 -0.363
27 F1 F F1 N N N 0 -2.701 -5.462 -0.296
28 N1 N N2 N N N 0 4.218 0.728 -0.41
29 N2 N N3 N Y N 0 3.106 2.768 -0.418
30 N3 N N4 N N N 0 -5.881 1.83 -0.102
31 N5 N N5 N Y N 0 1.85 0.804 -0.391
32 O1 O O1 N N N 0 7.385 -0.942 1.706
33 O2 O O2 N N N 0 -7.332 1.639 1.65
34 H1 H H1 N N N 0 6.895 -0.926 -0.301
35 H2 H H2 N N N 0 6.019 1.354 1.531
36 H3 H H3 N N N 0 7.425 1.39 0.439
37 H4 H H4 N N N 0 5.376 2.477 -0.548
38 H5 H H5 N N N 0 5.969 1.1 -1.512
39 H6 H H6 N N N 0 2.092 4.6 -0.424
40 H7 H H7 N N N 0 -0.122 3.55 -0.397
41 H8 H H8 N N N 0 -1.852 1.593 -2.419
42 H9 H H9 N N N 0 -4.242 2.144 -2.405
43 H10 H H10 N N N 0 -4.729 1.681 2.7
44 H11 H H11 N N N 0 -5.116 0.006 2.198
45 H12 H H12 N N N 0 -2.103 0.417 1.696
46 H13 H H13 N N N 0 -2.161 -1.186 -1.596
47 H14 H H14 N N N 0 -0.434 -5.057 0.931
48 H15 H H15 N N N 0 0.842 -2.954 0.898
49 H16 H H16 N N N 0 4.533 -1.203 -1.18
50 H17 H H17 N N N 0 3.172 -1.06 -0.039
51 H18 H H18 N N N 0 5.177 -2.214 0.958
52 H19 H H19 N N N 0 4.719 -0.732 1.832
53 H20 H H20 N N N 0 -3.422 -3.298 -1.562
54 H21 H H21 N N N 0 -6.5 2.173 -0.766
55 H22 H H22 N N N 0 8.288 -0.61 1.613