Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 017

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 75


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -2.266 5.752 0.374
2 C2 C C2 N Y N 0 -2.761 4.491 0.036
3 C3 C C3 N Y N 0 -2.068 3.688 -0.861
4 C4 C C4 N Y N 0 -2.56 2.441 -1.192
5 C5 C C5 N Y N 0 -3.742 1.992 -0.632
6 C6 C C6 N Y N 0 -4.434 2.788 0.262
7 C7 C C7 N Y N 0 -3.945 4.034 0.601
8 S8 S S8 N N N 0 -4.367 0.4 -1.058
9 O9 O O9 N N N 0 -5.765 0.438 -0.809
10 O10 O O10 N N N 0 -3.812 0.077 -2.326
11 N11 N N11 N N N 0 -3.729 -0.682 0.021
12 C12 C C12 N N N 0 -4.439 -0.977 1.268
13 C13 C C13 N N N 0 -5.331 -2.205 1.069
14 C14 C C14 N N N 0 -4.457 -3.433 0.808
15 C15 C C15 N N N 0 -6.171 -2.434 2.327
16 C16 C C16 N N N 0 -2.456 -1.344 -0.271
17 C17 C C17 R N N 0 -1.312 -0.556 0.371
18 O18 O O18 N N N 0 -1.444 -0.6 1.793
19 C19 C C19 S N N 0 0.026 -1.175 -0.037
20 N20 N N20 N N N 0 1.123 -0.352 0.479
21 C21 C C21 N N N 0 2.325 -0.372 -0.13
22 O22 O O22 N N N 0 2.499 -1.073 -1.107
23 O23 O O23 N N N 0 3.332 0.384 0.345
24 C24 C C24 R N N 0 4.599 0.313 -0.361
25 C25 C C25 N N N 0 4.667 1.397 -1.452
26 O26 O O26 N N N 0 5.72 2.302 -1.092
27 C27 C C27 R N N 0 6.661 1.584 -0.271
28 O28 O O28 N N N 0 7.251 2.499 0.663
29 C29 C C29 N N N 0 6.457 2.582 1.851
30 C30 C C30 N N N 0 5.261 1.622 1.681
31 C31 C C31 S N N 0 5.766 0.642 0.593
32 C32 C C32 N N N 0 0.132 -2.588 0.542
33 C33 C C33 N Y N 0 2.571 -3.112 0.752
34 C34 C C34 N Y N 0 3.727 -3.713 0.292
35 C35 C C35 N Y N 0 3.706 -4.444 -0.881
36 C36 C C36 N Y N 0 2.529 -4.576 -1.593
37 C37 C C37 N Y N 0 1.372 -3.974 -1.132
38 C38 C C38 N Y N 0 1.393 -3.243 0.04
39 H11 H H11 N N N 0 -1.437 6.069 -0.018
40 H12 H H12 N N N 0 -2.753 6.314 0.998
41 H3 H H3 N N N 0 -1.145 4.039 -1.299
42 H4 H H4 N N N 0 -2.022 1.817 -1.89
43 H6 H H6 N N N 0 -5.357 2.434 0.697
44 H7 H H7 N N N 0 -4.484 4.654 1.303
45 H121 H H121 N N N 0 -3.716 -1.178 2.059
46 H122 H H122 N N N 0 -5.055 -0.122 1.547
47 H13 H H13 N N N 0 -5.991 -2.04 0.217
48 H141 H H141 N N N 0 -3.959 -3.326 -0.156
49 H142 H H142 N N N 0 -3.708 -3.52 1.595
50 H143 H H143 N N N 0 -5.081 -4.327 0.798
51 H151 H H151 N N N 0 -6.793 -1.559 2.513
52 H152 H H152 N N N 0 -6.806 -3.309 2.185
53 H153 H H153 N N N 0 -5.511 -2.599 3.179
54 H161 H H161 N N N 0 -2.471 -2.356 0.133
55 H162 H H162 N N N 0 -2.307 -1.386 -1.35
56 H17 H H17 N N N 0 -1.351 0.48 0.035
57 H18 H H18 N N N 0 -1.418 -1.493 2.163
58 H19 H H19 N N N 0 0.088 -1.223 -1.124
59 H20 H H20 N N N 0 0.983 0.207 1.26
60 H24 H H24 N N N 0 4.733 -0.676 -0.8
61 H251 H H251 N N N 0 4.886 0.939 -2.416
62 H252 H H252 N N N 0 3.719 1.933 -1.501
63 H27 H H27 N N N 0 7.406 1.049 -0.859
64 H291 H H291 N N N 0 7.051 2.283 2.714
65 H292 H H292 N N N 0 6.096 3.601 1.985
66 H301 H H301 N N N 0 5.054 1.093 2.612
67 H302 H H302 N N N 0 4.378 2.161 1.337
68 H31 H H31 N N N 0 6.282 -0.238 0.977
69 H321 H H321 N N N 0 0.16 -2.533 1.63
70 H322 H H322 N N N 0 -0.732 -3.174 0.229
71 H33 H H33 N N N 0 2.586 -2.544 1.671
72 H34 H H34 N N N 0 4.648 -3.61 0.848
73 H35 H H35 N N N 0 4.61 -4.913 -1.241
74 H36 H H36 N N N 0 2.513 -5.146 -2.509
75 H37 H H37 N N N 0 0.452 -4.077 -1.689