Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : WHQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C13 C C1 N Y N 0 5.884 2.003 1.162
2 C15 C C2 N Y N 0 -4.06 1.128 -0.014
3 C17 C C3 N Y N 0 -3.141 -0.797 -0.859
4 C21 C C4 N N N 0 0.484 -4.875 1.087
5 O01 O O1 N N N 0 -6.715 1.959 0.675
6 C11 C C5 N Y N 0 6.273 1.089 -1.019
7 C12 C C6 N Y N 0 6.591 1.997 -0.026
8 C16 C C7 N Y N 0 -5.2 0.384 -0.125
9 C19 C C8 N N N 0 -8.946 0.46 0.443
10 CL1 CL CL1 N N N 0 4.85 -0.957 -2.075
11 C1 C C9 N Y N 0 -2.928 0.456 -0.426
12 C10 C C10 N Y N 0 5.247 0.183 -0.827
13 C14 C C11 N Y N 0 4.856 1.1 1.362
14 C18 C C12 N N N 0 -6.547 0.836 0.236
15 C2 C C13 N Y N 0 -0.47 0.386 -0.12
16 C20 C C14 N N N 0 1.479 -2.721 0.749
17 C3 C C15 N Y N 0 0.552 1.351 -0.205
18 C4 C C16 N Y N 0 -0.069 2.58 -0.532
19 C5 C C17 N Y N 0 -0.153 -0.933 0.191
20 C6 C C18 N Y N 0 1.146 -1.29 0.412
21 C7 C C19 N Y N 0 2.169 -0.344 0.331
22 C8 C C20 N Y N 0 1.881 0.971 0.024
23 C9 C C21 N Y N 0 4.534 0.185 0.365
24 F1 F F1 N N N 0 4.166 1.107 2.523
25 N1 N N1 N Y N 0 -1.649 1.039 -0.395
26 N2 N N2 N Y N 0 -1.352 2.386 -0.637
27 N3 N N3 N N N 0 3.494 -0.73 0.562
28 N4 N N4 N N N 0 -7.599 0.008 0.082
29 O1 O O2 N N N 0 0.279 -3.496 0.776
30 S1 S S1 N Y N 0 -4.796 -1.201 -0.769
31 H7 H H1 N N N 0 6.138 2.711 1.937
32 H8 H H2 N N N 0 -4.046 2.143 0.355
33 H9 H H3 N N N 0 -2.368 -1.461 -1.216
34 H21 H H4 N N N 0 -0.474 -5.394 1.087
35 H17 H H5 N N N 0 1.14 -5.323 0.34
36 H16 H H6 N N N 0 0.944 -4.961 2.072
37 H5 H H7 N N N 0 6.828 1.088 -1.946
38 H6 H H8 N N N 0 7.393 2.704 -0.179
39 H12 H H9 N N N 0 -9.661 -0.34 0.25
40 H13 H H10 N N N 0 -8.97 0.722 1.5
41 H11 H H11 N N N 0 -9.208 1.333 -0.154
42 H15 H H12 N N N 0 2.155 -3.124 -0.005
43 H14 H H13 N N N 0 1.96 -2.762 1.727
44 H1 H H14 N N N 0 0.438 3.524 -0.671
45 H2 H H15 N N N 0 -0.935 -1.675 0.258
46 H3 H H16 N N N 0 2.674 1.701 -0.038
47 H4 H H17 N N N 0 3.692 -1.632 0.859
48 H10 H H18 N N N 0 -7.465 -0.887 -0.268