Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8YQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 81


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C14 C C1 N Y N 0 5.368 -1.271 -0.27
2 C13 C C2 N N N 0 3.779 0.667 -0.075
3 C15 C C3 N Y N 0 6.486 -0.303 -0.386
4 C17 C C4 N Y N 0 8.658 0.456 0.303
5 C16 C C5 N Y N 0 7.62 -0.447 0.415
6 C8 C C6 N Y N 0 -1.038 -0.753 0.432
7 C10 C C7 N N N 0 1.607 -1.224 0.139
8 C9 C C8 N Y N 0 -0.604 -2.068 0.37
9 N1 N N1 N N N 0 -5.345 -2.217 -1.339
10 C12 C C9 N Y N 0 4.06 -0.813 -0.122
11 C11 C C10 N Y N 0 3.022 -1.718 -0.02
12 O3 O O1 N N N 0 9.772 0.333 1.074
13 C1 C C11 N Y N 0 -3.513 5.059 -0.437
14 C2 C C12 N Y N 0 -3.684 5.667 0.794
15 C3 C C13 N Y N 0 -3.253 5.033 1.943
16 C4 C C14 N Y N 0 -2.649 3.791 1.864
17 C5 C C15 N Y N 0 -2.478 3.184 0.634
18 C6 C C16 N N N 0 -1.821 1.831 0.547
19 C7 C C17 N Y N 0 -2.388 -0.478 0.583
20 O5 O O2 N N N 0 -7.032 1.231 1.27
21 N N N2 N N N 0 -5.367 5.369 -1.977
22 C C C18 N N N 0 -3.978 5.753 -1.691
23 O O O3 N N N 0 -2.817 0.811 0.644
24 CL CL CL1 N N N 0 -0.979 -4.753 0.379
25 O1 O O4 N N N 0 0.72 -2.341 0.223
26 O2 O O5 N N N 0 9.605 2.389 -0.707
27 O4 O O6 N N N 0 -7.066 -2.098 -2.989
28 O6 O O7 N N N 0 -7.483 -0.842 1.887
29 C18 C C19 N Y N 0 8.573 1.508 -0.609
30 C19 C C20 N N N 0 10.792 2.043 -0.139
31 C20 C C21 N N N 0 10.872 1.05 0.721
32 C21 C C22 N Y N 0 7.453 1.643 -1.412
33 C22 C C23 N Y N 0 6.409 0.745 -1.299
34 C23 C C24 N Y N 0 5.62 -2.641 -0.313
35 C24 C C25 N Y N 0 4.576 -3.536 -0.205
36 C25 C C26 N Y N 0 3.279 -3.076 -0.064
37 C26 C C27 N Y N 0 -1.521 -3.106 0.458
38 C27 C C28 N Y N 0 -2.868 -2.829 0.608
39 C28 C C29 N Y N 0 -3.302 -1.518 0.671
40 C29 C C30 N N N 0 -4.77 -1.219 0.834
41 C30 C C31 R N N 0 -5.398 -0.978 -0.54
42 C31 C C32 R N N 0 -6.726 -2.605 -1.697
43 C32 C C33 N N N 0 -7.615 -1.95 -0.61
44 C33 C C34 R N N 0 -6.885 -0.601 -0.379
45 C34 C C35 N N N 0 -7.156 -0.08 1.009
46 C35 C C36 N Y N 0 -2.91 3.818 -0.516
47 H1 H H1 N N N 0 3.6 1.035 -1.085
48 H2 H H2 N N N 0 2.898 0.85 0.54
49 H3 H H3 N N N 0 4.636 1.186 0.355
50 H4 H H4 N N N 0 7.686 -1.261 1.122
51 H5 H H5 N N N 0 -0.325 0.056 0.368
52 H6 H H6 N N N 0 1.53 -0.63 1.05
53 H7 H H7 N N N 0 1.338 -0.609 -0.72
54 H8 H H8 N N N 0 -4.882 -2.955 -0.831
55 H10 H H10 N N N 0 -4.155 6.636 0.856
56 H11 H H11 N N N 0 -3.386 5.508 2.904
57 H12 H H12 N N N 0 -2.312 3.296 2.762
58 H13 H H13 N N N 0 -1.3 1.74 -0.406
59 H14 H H14 N N N 0 -1.107 1.72 1.363
60 H15 H H15 N N N 0 -7.216 1.518 2.175
61 H16 H H16 N N N 0 -5.967 5.572 -1.191
62 H17 H H17 N N N 0 -5.702 5.822 -2.814
63 H19 H H19 N N N 0 -3.921 6.833 -1.551
64 H20 H H20 N N N 0 -3.341 5.46 -2.526
65 H21 H H21 N N N 0 -6.509 -2.437 -3.703
66 H22 H H22 N N N 0 11.684 2.593 -0.399
67 H23 H H23 N N N 0 11.829 0.8 1.155
68 H24 H H24 N N N 0 7.394 2.454 -2.123
69 H25 H H25 N N N 0 5.532 0.857 -1.92
70 H26 H H26 N N N 0 6.631 -3.001 -0.433
71 H27 H H27 N N N 0 4.77 -4.598 -0.238
72 H28 H H28 N N N 0 2.464 -3.78 0.017
73 H29 H H29 N N N 0 -3.581 -3.637 0.677
74 H30 H H30 N N N 0 -5.262 -2.065 1.315
75 H31 H H31 N N N 0 -4.893 -0.329 1.451
76 H32 H H32 N N N 0 -4.864 -0.181 -1.057
77 H33 H H33 N N N 0 -6.834 -3.689 -1.675
78 H34 H H34 N N N 0 -8.628 -1.788 -0.98
79 H35 H H35 N N N 0 -7.625 -2.55 0.3
80 H36 H H36 N N N 0 -7.181 0.131 -1.131
81 H37 H H37 N N N 0 -2.776 3.344 -1.477