Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S53

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


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 -2.835 1.356 2.448
2 C2 C C2 N Y N 0 -2.49 0.438 1.567
3 C3 C C3 N Y N 0 -1.2 0.407 1.056
4 C4 C C4 N Y N 0 -0.28 1.374 1.502
5 C5 C C5 N Y N 0 -0.699 2.321 2.435
6 C6 C C6 N Y N 0 -1.991 2.276 2.884
7 N9 N N9 N Y N 0 -0.55 -0.406 0.146
8 C10 C C10 N Y N 0 0.741 -0.005 -0.011
9 C11 C C11 N Y N 0 0.981 1.094 0.799
10 C12 C C12 N Y N 0 -1.137 -1.49 -0.52
11 C13 C C13 N Y N 0 -1.355 -2.685 0.153
12 C14 C C14 N Y N 0 -1.934 -3.751 -0.506
13 C15 C C15 N Y N 0 -2.296 -3.631 -1.835
14 C16 C C16 N Y N 0 -2.079 -2.443 -2.509
15 C17 C C17 N Y N 0 -1.506 -1.37 -1.854
16 C23 C C23 N N N 0 -3.502 -0.582 1.112
17 C24 C C24 N Y N 0 -4.496 0.074 0.188
18 C27 C C27 N Y N 0 -4.298 0.035 -1.18
19 C28 C C28 N Y N 0 -5.209 0.637 -2.027
20 C29 C C29 N Y N 0 -6.318 1.277 -1.507
21 C30 C C30 N Y N 0 -6.516 1.316 -0.14
22 C31 C C31 N Y N 0 -5.608 0.709 0.708
23 O37 O O37 N N N 0 1.646 -0.588 -0.827
24 C38 C C38 N Y N 0 2.42 -1.582 -0.316
25 C39 C C39 N Y N 0 2.206 -2.032 0.978
26 C40 C C40 N Y N 0 2.994 -3.044 1.496
27 C41 C C41 N Y N 0 3.996 -3.606 0.722
28 C42 C C42 N Y N 0 4.209 -3.158 -0.568
29 C43 C C43 N Y N 0 3.42 -2.151 -1.091
30 C47 C C47 N N N 0 3.65 -1.668 -2.5
31 F51 F F51 N N N 0 2.788 -3.483 2.757
32 C52 C C52 N N N 0 2.239 1.831 0.928
33 N53 N N53 N N N 0 2.53 2.825 0.066
34 O54 O O54 N N N 0 3.023 1.545 1.815
35 C55 C C55 N N N 0 3.809 3.546 0.149
36 C56 C C56 N N N 0 4.457 3.55 -1.24
37 N57 N N57 N N N 0 3.503 4.087 -2.22
38 C58 C C58 N N N 0 2.312 3.234 -2.328
39 C59 C C59 N N N 0 1.579 3.213 -0.987
40 H5 H H5 N N N 0 -0.017 3.076 2.797
41 H6 H H6 N N N 0 -2.327 3.004 3.607
42 H13 H H13 N N N 0 -1.072 -2.78 1.191
43 H14 H H14 N N N 0 -2.105 -4.681 0.017
44 H15 H H15 N N N 0 -2.749 -4.466 -2.349
45 H16 H H16 N N N 0 -2.363 -2.351 -3.547
46 H17 H H17 N N N 0 -1.341 -0.441 -2.379
47 H23 H H23 N N N 0 -2.993 -1.388 0.584
48 H23A H H23A N N N 0 -4.024 -0.987 1.978
49 H27 H H27 N N N 0 -3.431 -0.465 -1.586
50 H28 H H28 N N N 0 -5.055 0.607 -3.096
51 H29 H H29 N N N 0 -7.03 1.748 -2.169
52 H30 H H30 N N N 0 -7.383 1.817 0.267
53 H31 H H31 N N N 0 -5.762 0.739 1.776
54 H39 H H39 N N N 0 1.426 -1.592 1.582
55 H41 H H41 N N N 0 4.611 -4.396 1.127
56 H42 H H42 N N N 0 4.991 -3.598 -1.17
57 H47 H H47 N N N 0 4.373 -0.853 -2.491
58 H47A H H47A N N N 0 4.034 -2.488 -3.107
59 H47B H H47B N N N 0 2.708 -1.315 -2.921
60 H55 H H55 N N N 0 3.631 4.571 0.472
61 H55A H H55A N N N 0 4.467 3.044 0.858
62 H56 H H56 N N N 0 5.351 4.174 -1.223
63 H56A H H56A N N N 0 4.729 2.532 -1.518
64 HN57 H HN57 N N N 0 3.248 5.037 -1.993
65 H59A H H59A N N N 0 1.183 4.206 -0.775
66 H58 H H58 N N N 0 1.651 3.628 -3.099
67 H58A H H58A N N N 0 2.614 2.22 -2.591
68 H59 H H59 N N N 0 0.764 2.491 -1.028