Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4QR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


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 -0.2 -0.493 0.193
2 N3 N N2 N Y N 0 4.3 2.1 0.233
3 C4 C C1 N Y N 0 -2.495 -1.458 0.22
4 C5 C C2 N Y N 0 -1.081 -1.506 0.12
5 C6 C C3 N Y N 0 -0.466 -2.747 -0.083
6 C7 C C4 N Y N 0 1.054 -0.771 0.074
7 C8 C C5 N N N 0 -3.428 -5.06 -0.19
8 C10 C C6 N Y N 0 -5.047 1.122 0.726
9 C13 C C7 N Y N 0 -5.966 3.706 1.145
10 C15 C C8 N Y N 0 -5.356 1.917 -0.358
11 C17 C C9 N N N 0 3.357 -0.241 -0.01
12 C20 C C10 N Y N 0 6.461 1.701 0.04
13 C21 C C11 N Y N 0 5.532 2.668 0.231
14 C22 C C12 N N N 0 5.82 4.136 0.411
15 C1 C C13 N Y N 0 -1.229 -3.904 -0.184
16 C2 C C14 N Y N 0 -2.616 -3.835 -0.083
17 C3 C C15 N Y N 0 -3.237 -2.594 0.121
18 S1 S S1 N Y N 0 1.276 -2.498 -0.167
19 O1 O O1 N N N 0 -2.828 -6.251 -0.386
20 O2 O O2 N N N 0 -4.639 -4.997 -0.102
21 O3 O O3 N N N 0 -3.115 -0.264 0.417
22 C9 C C16 N N N 0 -4.54 -0.281 0.509
23 C11 C C17 N Y N 0 -5.194 1.611 2.012
24 C12 C C18 N Y N 0 -5.653 2.9 2.22
25 C14 C C19 N Y N 0 -5.824 3.217 -0.155
26 C16 C C20 N N N 0 -6.158 4.074 -1.311
27 O4 O O4 N N N 0 -6.034 3.646 -2.441
28 O5 O O5 N N N 0 -6.6 5.331 -1.112
29 N2 N N3 N N N 0 2.077 0.158 0.127
30 C18 C C21 N Y N 0 4.441 0.742 0.046
31 C19 C C22 N Y N 0 5.79 0.478 -0.078
32 O6 O O6 N N N 0 3.612 -1.419 -0.181
33 CL1 CL CL1 N N N 0 6.518 -1.077 -0.335
34 CL2 CL CL2 N N N 0 8.179 1.936 -0.038
35 H1 H H1 N N N 0 3.46 2.571 0.351
36 H2 H H2 N N N 0 -6.32 4.713 1.309
37 H3 H H3 N N N 0 -5.235 1.536 -1.361
38 H4 H H4 N N N 0 5.824 4.628 -0.562
39 H5 H H5 N N N 0 5.05 4.583 1.04
40 H6 H H6 N N N 0 6.793 4.26 0.885
41 H7 H H7 N N N 0 -0.746 -4.857 -0.34
42 H8 H H8 N N N 0 -4.313 -2.54 0.2
43 H9 H H9 N N N 0 -3.402 -7.027 -0.45
44 H10 H H10 N N N 0 -4.843 -0.91 1.347
45 H11 H H11 N N N 0 -4.959 -0.679 -0.415
46 H12 H H12 N N N 0 -4.951 0.984 2.857
47 H13 H H13 N N N 0 -5.761 3.277 3.226
48 H14 H H14 N N N 0 -6.805 5.854 -1.899
49 H15 H H15 N N N 0 1.873 1.096 0.263