Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9WW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 79


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 -3.07 1.094 1.174
2 C13 C C2 N Y N 0 -1.903 0.224 3.075
3 C15 C C3 N Y N 0 -2.268 -1.191 1.163
4 C17 C C4 N N N 0 -3.067 -3.382 0.677
5 C20 C C5 N Y N 0 -1.689 -4.812 -0.794
6 C21 C C6 N Y N 0 -1.464 -6.016 -1.464
7 C22 C C7 N Y N 0 -2.382 -7.036 -1.361
8 C24 C C8 N Y N 0 -3.775 -5.707 0.076
9 C26 C C9 N N N 0 -1.02 -2.661 -0.245
10 C28 C C10 N N N 0 -0.277 -0.758 -1.65
11 C01 C C11 N N N 0 -3.614 -1.059 -1.728
12 C04 C C12 N Y N 0 -3.794 1.97 0.251
13 C07 C C13 N N N 0 -6.575 3.308 -0.804
14 C11 C C14 N Y N 0 -2.545 1.262 2.46
15 C14 C C15 N Y N 0 -1.765 -1.001 2.437
16 C19 C C16 N Y N 0 -2.859 -4.661 -0.017
17 C23 C C17 N Y N 0 -3.532 -6.884 -0.597
18 C27 C C18 S N N 0 0.004 -1.565 -0.38
19 C29 C C19 N Y N 0 0.67 0.412 -1.721
20 C30 C C20 N Y N 0 0.321 1.62 -1.147
21 C31 C C21 N Y N 0 1.191 2.695 -1.212
22 C33 C C22 N Y N 0 2.41 2.561 -1.852
23 C34 C C23 N Y N 0 2.759 1.351 -2.427
24 C36 C C24 N Y N 0 1.891 0.275 -2.356
25 C38 C C25 N N N 0 2.42 -1.436 -0.089
26 C40 C C26 N N N 0 3.797 -2.042 -0.174
27 C43 C C27 N Y N 0 6.297 0.605 0.241
28 C44 C C28 N N N 0 7.185 1.709 -0.273
29 C47 C C29 N Y N 0 6.218 0.196 1.553
30 C48 C C30 N Y N 0 5.234 -0.9 1.602
31 C49 C C31 N Y N 0 5.155 -1.303 2.893
32 C50 C C32 N Y N 0 6.024 -0.542 3.691
33 C51 C C33 N Y N 0 6.682 0.369 2.93
34 C52 C C34 N Y N 0 -2.929 -0.141 0.517
35 F32 F F1 N N N 0 0.848 3.876 -0.651
36 F35 F F2 N N N 0 3.949 1.218 -3.053
37 F45 F F3 N N N 0 8.066 1.191 -1.229
38 F46 F F4 N N N 0 6.397 2.707 -0.857
39 N02 N N1 N Y N 0 -3.527 -0.01 -0.709
40 N03 N N2 N Y N 0 -4.046 1.283 -0.832
41 N05 N N3 N N N 0 -4.152 3.3 0.486
42 N16 N N4 N N N 0 -2.118 -2.429 0.524
43 N25 N N5 N N N 0 -0.811 -3.781 -0.869
44 N37 N N6 N N N 0 1.343 -2.154 -0.463
45 N41 N N7 N Y N 0 4.789 -1.067 0.286
46 N42 N N8 N Y N 0 5.456 -0.128 -0.511
47 O08 O O1 N N N 0 -4.211 3.964 -1.855
48 O09 O O2 N N N 0 -5.139 5.445 -0.103
49 O18 O O3 N N N 0 -4.056 -3.185 1.358
50 O39 O O4 N N N 0 2.281 -0.301 0.315
51 S06 S S1 N N N 0 -4.975 4.153 -0.671
52 CL12 CL CL1 N N N 0 -2.707 2.787 3.273
53 H1 H H1 N N N 0 -1.499 0.358 4.068
54 H2 H H2 N N N 0 -0.573 -6.147 -2.062
55 H3 H H3 N N N 0 -2.206 -7.967 -1.88
56 H4 H H4 N N N 0 -4.671 -5.594 0.669
57 H5 H H5 N N N 0 -0.135 -1.394 -2.523
58 H6 H H6 N N N 0 -1.304 -0.393 -1.628
59 H7 H H7 N N N 0 -4.528 -1.635 -1.579
60 H8 H H8 N N N 0 -3.629 -0.604 -2.718
61 H9 H H9 N N N 0 -2.751 -1.72 -1.644
62 H10 H H10 N N N 0 -7.082 3.336 0.16
63 H11 H H11 N N N 0 -7.188 3.808 -1.553
64 H12 H H12 N N N 0 -6.414 2.271 -1.1
65 H13 H H13 N N N 0 -1.255 -1.811 2.937
66 H14 H H14 N N N 0 -4.24 -7.696 -0.527
67 H15 H H15 N N N 0 -0.051 -0.908 0.488
68 H16 H H16 N N N 0 -0.631 1.724 -0.648
69 H17 H H17 N N N 0 3.089 3.399 -1.904
70 H18 H H18 N N N 0 2.165 -0.671 -2.8
71 H19 H H19 N N N 0 3.842 -2.931 0.456
72 H20 H H20 N N N 0 4.01 -2.318 -1.207
73 H21 H H21 N N N 0 7.754 2.132 0.554
74 H22 H H22 N N N 0 4.517 -2.095 3.256
75 H23 H H23 N N N 0 6.151 -0.663 4.756
76 H24 H H24 N N N 0 7.411 1.087 3.275
77 H25 H H25 N N N 0 -3.919 3.724 1.327
78 H26 H H26 N N N 0 1.454 -3.062 -0.786
79 H27 H H27 N N N 0 5.329 -0.021 -1.467