Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BXQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 71


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C12 C C12 N Y N 0 4.783 0.154 1.031
2 C13 C C13 N Y N 0 5.363 1.387 0.762
3 C14 C C14 N Y N 0 4.605 2.548 0.879
4 C15 C C15 N Y N 0 3.279 2.469 1.263
5 C17 C C17 N Y N 0 2.707 1.239 1.531
6 C18 C C18 N Y N 0 3.456 0.083 1.409
7 C2 C C2 N N N 0 6.619 -2.718 -0.708
8 C20 C C20 N N N 0 1.262 1.157 1.949
9 C23 C C23 S N N 0 0.379 1.012 0.708
10 C25 C C25 S N N 0 -1.069 0.799 1.139
11 C27 C C27 R N N 0 -1.933 0.403 -0.055
12 C29 C C29 N N N 0 -2.099 1.596 -1.0
13 C33 C C33 N N N 0 0.488 2.278 -0.144
14 C40 C C40 N N N 0 -3.889 -0.939 -0.539
15 C43 C C43 N Y N 0 -5.24 -1.357 -0.018
16 C44 C C44 N Y N 0 -6.363 -0.616 -0.335
17 C46 C C46 N Y N 0 -7.602 -0.999 0.143
18 C47 C C47 N Y N 0 -7.718 -2.124 0.938
19 C49 C C49 N Y N 0 -6.596 -2.866 1.254
20 C5 C C5 S N N 0 5.688 -1.512 -0.566
21 C51 C C51 N Y N 0 -5.357 -2.486 0.772
22 C53 C C53 N N N 0 -8.826 -0.19 -0.202
23 C54 C C54 N N N 0 -9.008 -0.163 -1.721
24 C58 C C58 N N N 0 -10.057 -0.825 0.447
25 C62 C C62 N N N 0 -8.655 1.239 0.317
26 C9 C C9 N N N 0 5.6 -1.106 0.906
27 F1 F F1 N N N 0 6.114 -3.787 0.041
28 F3 F F3 N N N 0 7.893 -2.382 -0.24
29 F4 F F4 N N N 0 6.699 -3.09 -2.054
30 F68 F F68 N N N 0 5.164 3.75 0.618
31 H1 H H1 N N N 0 6.081 -0.68 -1.15
32 H10 H H10 N N N 0 -1.455 1.723 1.57
33 H11 H H11 N N N 0 -1.457 -0.419 -0.589
34 H12 H H12 N N N 0 -2.766 1.323 -1.817
35 H13 H H13 N N N 0 -2.516 2.441 -0.452
36 H14 H H14 N N N 0 0.093 3.129 0.411
37 H15 H H15 N N N 0 1.534 2.458 -0.395
38 H16 H H16 N N N 0 -3.848 0.769 0.609
39 H18 H H18 N N N 0 -4.01 -0.433 -1.497
40 H19 H H19 N N N 0 -3.262 -1.821 -0.671
41 H2 H H2 N N N 0 3.975 -2.592 -0.57
42 H20 H H20 N N N 0 -6.272 0.264 -0.956
43 H21 H H21 N N N 0 -8.686 -2.423 1.311
44 H22 H H22 N N N 0 -6.687 -3.744 1.876
45 H23 H H23 N N N 0 -4.481 -3.068 1.015
46 H24 H H24 N N N 0 -9.129 -1.181 -2.091
47 H25 H H25 N N N 0 -9.893 0.422 -1.971
48 H26 H H26 N N N 0 -8.131 0.289 -2.184
49 H27 H H27 N N N 0 -9.927 -0.845 1.53
50 H28 H H28 N N N 0 -10.942 -0.24 0.198
51 H29 H H29 N N N 0 -10.178 -1.843 0.078
52 H3 H H3 N N N 0 5.125 -1.905 1.476
53 H30 H H30 N N N 0 -7.778 1.692 -0.147
54 H31 H H31 N N N 0 -9.541 1.824 0.067
55 H32 H H32 N N N 0 -8.526 1.22 1.399
56 H33 H H33 N N N 0 -2.012 -0.428 2.445
57 H34 H H34 N N N 0 7.231 0.651 0.294
58 H35 H H35 N N N 0 7.108 2.323 0.187
59 H4 H H4 N N N 0 6.603 -0.929 1.295
60 H5 H H5 N N N 0 2.69 3.37 1.354
61 H6 H H6 N N N 0 3.005 -0.876 1.614
62 H7 H H7 N N N 0 1.12 0.294 2.599
63 H8 H H8 N N N 0 0.987 2.065 2.486
64 H9 H H9 N N N 0 0.712 0.154 0.125
65 N38 N N38 N N N 0 -3.255 -0.026 0.421
66 N69 N N69 N N N 0 6.704 1.462 0.375
67 O36 O O36 N N N 0 0.055 0.935 -2.377
68 O37 O O37 N N N 0 -0.585 3.302 -2.33
69 O66 O O66 N N N 0 -1.121 -0.236 2.122
70 O7 O O7 N N N 0 4.386 -1.856 -1.044
71 S32 S S32 N N N 0 -0.472 2.049 -1.67