Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1AKS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 38


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 -2.688 -1.189 -0.997
2 N3 N N2 N Y N 0 -5.496 1.623 -0.194
3 C4 C C1 N Y N 0 -4.695 0.582 -0.573
4 C5 C C2 N Y N 0 -4.79 2.498 0.591
5 C6 C C3 N Y N 0 -3.53 2.057 0.742
6 C7 C C4 N Y N 0 -3.428 0.805 -0.005
7 C8 C C5 N Y N 0 1.254 -0.287 0.164
8 C10 C C6 N Y N 0 2.717 1.238 1.291
9 C13 C C7 N Y N 0 2.266 -0.608 -0.723
10 C15 C C8 N N N 0 6.05 0.913 -0.137
11 O O O1 N N N 0 -1.073 -2.047 1.872
12 C C C9 N N N 0 -0.206 -2.068 1.03
13 O1 O O2 N N N 0 0.658 -3.094 0.983
14 C1 C C10 S N N 0 -0.096 -0.943 0.033
15 N N N3 N N N 0 -1.146 0.045 0.294
16 C2 C C11 N Y N 0 -2.409 -0.13 -0.243
17 N2 N N4 N Y N 0 -4.877 -0.51 -1.315
18 C3 C C12 N Y N 0 -3.893 -1.36 -1.512
19 C12 C C13 N Y N 0 3.509 -0.006 -0.605
20 O2 O O3 N N N 0 4.497 -0.336 -1.482
21 C14 C C14 N N N 0 5.61 0.561 -1.564
22 O3 O O4 N N N 0 4.944 1.535 0.53
23 C11 C C15 N Y N 0 3.735 0.922 0.405
24 C9 C C16 N Y N 0 1.482 0.629 1.173
25 H1 H H1 N N N 0 -6.428 1.728 -0.443
26 H5 H H2 N N N 0 -5.187 3.405 1.023
27 H6 H H3 N N N 0 -2.744 2.536 1.307
28 H8 H H4 N N N 0 2.891 1.958 2.078
29 H9 H H5 N N N 0 2.087 -1.329 -1.507
30 H12 H H6 N N N 0 6.341 0.005 0.393
31 H13 H H7 N N N 0 6.893 1.604 -0.172
32 H2 H H8 N N N 0 0.548 -3.792 1.643
33 H H H9 N N N 0 -0.212 -1.339 -0.976
34 H3 H H10 N N N 0 -0.956 0.821 0.843
35 H4 H H11 N N N 0 -4.077 -2.234 -2.119
36 H10 H H12 N N N 0 5.313 1.467 -2.092
37 H11 H H13 N N N 0 6.432 0.079 -2.094
38 H7 H H14 N N N 0 0.691 0.874 1.867