Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PFY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 77


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O31 O O31 N N N 0 6.267 -0.09 0.947
2 C30 C C30 N N N 0 5.719 -0.123 -0.139
3 N38 N N38 N N N 0 6.311 0.443 -1.209
4 C39 C C39 S N N 0 7.611 1.13 -1.207
5 C43 C C43 N N N 0 7.556 2.345 -0.279
6 N33 N N33 N N N 0 7.121 1.92 1.059
7 C34 C C34 N N N 0 6.825 3.089 1.916
8 C35 C C35 N N N 0 7.227 2.708 3.353
9 C36 C C36 N N N 0 7.793 1.273 3.247
10 C37 C C37 N N N 0 8.196 1.169 1.755
11 C40 C C40 N N N 0 7.891 1.587 -2.654
12 C41 C C41 N N N 0 6.999 0.638 -3.497
13 C42 C C42 N N N 0 5.765 0.47 -2.579
14 C23 C C23 N Y N 0 4.411 -0.787 -0.285
15 C24 C C24 N Y N 0 3.144 -0.184 -0.133
16 C29 C C29 N N N 0 2.871 1.259 0.207
17 C22 C C22 N Y N 0 4.197 -2.116 -0.602
18 C28 C C28 N N N 0 5.27 -3.142 -0.859
19 N26 N N26 N Y N 0 2.873 -2.341 -0.642
20 C25 C C25 N Y N 0 2.203 -1.169 -0.358
21 C C C N N N 0 0.802 -1.005 -0.308
22 C21 C C21 N N N 0 0.001 -2.036 0.14
23 C20 C C20 N N N 0 0.433 -3.305 0.743
24 O32 O O32 N N N 0 1.584 -3.648 0.943
25 N19 N N19 N N N 0 -0.666 -4.021 1.035
26 C18 C C18 N Y N 0 -1.824 -3.341 0.679
27 C9 C C9 N Y N 0 -3.168 -3.68 0.788
28 C8 C C8 N Y N 0 -4.141 -2.804 0.349
29 C17 C C17 N Y N 0 -1.477 -2.101 0.124
30 C10 C C10 N Y N 0 -2.465 -1.223 -0.308
31 C7 C C7 N Y N 0 -3.794 -1.583 -0.204
32 S11 S S11 N N N 0 -5.051 -0.48 -0.76
33 O12 O O12 N N N 0 -4.415 0.298 -1.765
34 O13 O O13 N N N 0 -6.147 -1.328 -1.074
35 C14 C C14 N N N 0 -5.431 0.541 0.691
36 C1 C C1 N Y N 0 -6.505 1.536 0.337
37 C6 C C6 N Y N 0 -7.838 1.206 0.509
38 CL6 CL CL6 N N N 0 -8.272 -0.355 1.133
39 C2 C C2 N Y N 0 -6.16 2.782 -0.154
40 CL5 CL CL5 N N N 0 -4.488 3.2 -0.364
41 C3 C C3 N Y N 0 -7.147 3.695 -0.479
42 C4 C C4 N Y N 0 -8.479 3.363 -0.312
43 C5 C C5 N Y N 0 -8.824 2.12 0.184
44 H39 H H39 N N N 0 8.391 0.445 -0.874
45 H421 H H421 N N N 0 5.251 -0.465 -2.8
46 H422 H H422 N N N 0 5.087 1.315 -2.7
47 H431 H H431 N N N 0 8.545 2.797 -0.212
48 H432 H H432 N N N 0 6.85 3.074 -0.676
49 H401 H H401 N N N 0 7.591 2.625 -2.795
50 H402 H H402 N N N 0 8.943 1.451 -2.905
51 H341 H H341 N N N 0 7.406 3.949 1.584
52 H342 H H342 N N N 0 5.761 3.318 1.877
53 H371 H H371 N N N 0 8.21 0.128 1.432
54 H372 H H372 N N N 0 9.165 1.638 1.584
55 H351 H H351 N N N 0 7.992 3.389 3.725
56 H352 H H352 N N N 0 6.355 2.723 4.006
57 H361 H H361 N N N 0 8.664 1.153 3.891
58 H362 H H362 N N N 0 7.027 0.537 3.492
59 H411 H H411 N N N 0 6.723 1.1 -4.444
60 H412 H H412 N N N 0 7.493 -0.32 -3.661
61 H291 H H291 N N N 0 2.797 1.841 -0.712
62 H292 H H292 N N N 0 1.934 1.331 0.759
63 H293 H H293 N N N 0 3.684 1.648 0.819
64 H281 H H281 N N N 0 5.539 -3.629 0.079
65 H282 H H282 N N N 0 4.9 -3.887 -1.562
66 H283 H H283 N N N 0 6.149 -2.651 -1.278
67 H26 H H26 N N N 0 2.454 -3.193 -0.843
68 H H H N N N 0 0.356 -0.072 -0.622
69 H19 H H19 N N N 0 -0.653 -4.901 1.443
70 H9 H H9 N N N 0 -3.451 -4.629 1.217
71 H8 H H8 N N N 0 -5.183 -3.075 0.437
72 H10 H H10 N N N 0 -2.194 -0.27 -0.737
73 H141 H H141 N N N 0 -5.779 -0.097 1.503
74 H142 H H142 N N N 0 -4.533 1.072 1.006
75 H5 H H5 N N N 0 -9.864 1.862 0.318
76 H3 H H3 N N N 0 -6.878 4.668 -0.862
77 H4 H H4 N N N 0 -9.249 4.076 -0.566