Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : DUI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 31


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 4.571 0.373 -0.02
2 C2 C C2 N Y N 0 4.172 1.688 -0.114
3 C3 C C3 N Y N 0 2.824 2.016 -0.177
4 C4 C C4 N Y N 0 1.868 1.016 -0.145
5 C5 C C5 N N N 0 0.391 0.998 -0.19
6 C6 C C6 R N N 0 -1.426 -0.7 -0.141
7 O1 O O1 N N N 0 -5.353 0.34 -0.158
8 O2 O O2 N N N 0 -1.543 0.127 2.057
9 N1 N N1 N N N 0 -0.022 -0.281 -0.123
10 C7 C C7 N N N 0 -2.084 -0.231 -1.443
11 C8 C C8 N N N 0 -3.575 -0.581 -1.39
12 N2 N N2 N N N 0 -3.452 0.226 0.956
13 N N N3 N N N 0 4.026 -1.976 0.104
14 C C C9 N Y N 0 3.622 -0.652 0.014
15 O O O3 N N N 0 -0.329 1.973 -0.272
16 C10 C C10 N N N 0 -2.149 -0.087 1.029
17 C11 C C11 N N N 0 1.023 -1.123 -0.038
18 C12 C C12 N Y N 0 2.266 -0.335 -0.048
19 C9 C C13 N N N 0 -4.182 0.026 -0.153
20 O3 O O4 N N N 0 0.952 -2.334 0.036
21 H1 H H1 N N N 0 5.622 0.132 0.024
22 H2 H H2 N N N 0 4.915 2.471 -0.139
23 H3 H H3 N N N 0 2.522 3.05 -0.251
24 H4 H H4 N N N 0 -1.482 -1.787 -0.075
25 H5 H H5 N N N 0 -1.965 0.848 -1.545
26 H6 H H6 N N N 0 -1.617 -0.733 -2.29
27 H7 H H7 N N N 0 -4.074 -0.184 -2.273
28 H8 H H8 N N N 0 -3.694 -1.664 -1.36
29 H9 H H9 N N N 0 -3.883 0.611 1.736
30 H10 H H10 N N N 0 4.97 -2.193 0.143
31 H11 H H11 N N N 0 3.364 -2.685 0.127