Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : A1AKI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 40


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 6.371 -0.561 -0.94
2 N3 N N2 N Y N 0 5.054 2.31 0.695
3 C4 C C1 N N N 0 2.047 -0.575 -0.09
4 C5 C C2 S N N 0 -0.286 -1.277 -0.086
5 C6 C C3 N N N 0 -0.338 -2.409 0.942
6 C7 C C4 N N N 0 -1.314 -3.461 0.483
7 C8 C C5 N Y N 0 -1.611 -0.559 -0.11
8 C10 C C6 N Y N 0 -3.747 -0.183 -1.125
9 C13 C C7 N Y N 0 -1.903 0.385 0.856
10 C15 C C8 N Y N 0 3.812 2.547 1.054
11 BR BR BR1 N N N 0 -5.708 1.652 -0.18
12 C11 C C9 N Y N 0 -4.042 0.758 -0.154
13 C9 C C10 N Y N 0 -2.532 -0.842 -1.102
14 C12 C C11 N Y N 0 -3.118 1.044 0.834
15 O2 O O1 N N N 0 -1.625 -4.486 1.291
16 O1 O O2 N N N 0 -1.817 -3.381 -0.613
17 N2 N N3 N N N 0 0.774 -0.334 0.279
18 O O O3 N N N 0 2.332 -1.618 -0.646
19 C3 C C12 N Y N 0 3.099 0.429 0.181
20 C14 C C13 N Y N 0 2.798 1.632 0.817
21 C16 C C14 N Y N 0 5.406 1.186 0.087
22 N N N4 N Y N 0 6.6 0.702 -0.381
23 C C C15 N N N 0 7.893 1.387 -0.308
24 C2 C C16 N Y N 0 4.44 0.199 -0.194
25 C1 C C17 N Y N 0 5.109 -0.865 -0.836
26 H H H1 N N N 0 -0.08 -1.692 -1.073
27 H7 H H2 N N N 0 0.653 -2.852 1.044
28 H6 H H3 N N N 0 -0.659 -2.011 1.905
29 H10 H H4 N N N 0 -4.468 -0.407 -1.897
30 H12 H H5 N N N 0 -1.181 0.609 1.628
31 H14 H H6 N N N 0 3.575 3.479 1.547
32 H9 H H7 N N N 0 -2.302 -1.577 -1.859
33 H11 H H8 N N N 0 -3.346 1.781 1.59
34 H8 H H9 N N N 0 -2.257 -5.136 0.953
35 H5 H H10 N N N 0 0.559 0.465 0.786
36 H13 H H11 N N N 0 1.785 1.849 1.122
37 H2 H H12 N N N 0 8.034 1.994 -1.203
38 H3 H H13 N N N 0 7.916 2.028 0.573
39 H1 H H14 N N N 0 8.692 0.649 -0.241
40 H4 H H15 N N N 0 4.65 -1.78 -1.184