Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ZY3

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 O3 O O3 N N N 0 0.927 -1.788 -0.997
2 C13 C C13 N N N 0 0.885 -0.752 -0.363
3 C5 C C5 N Y N 0 2.089 0.1 -0.257
4 C6 C C6 N Y N 0 3.278 -0.278 -0.879
5 C7 C C7 N Y N 0 4.406 0.523 -0.776
6 C12 C C12 N Y N 0 4.372 1.72 -0.078
7 C11 C C11 N N N 0 5.521 2.688 0.056
8 C10 C C10 N N N 0 6.433 2.682 -1.171
9 C9 C C9 N N N 0 7.661 1.772 -0.89
10 S S S N N N 0 6.995 0.139 -0.457
11 O1 O O1 N N N 0 7.8 -0.899 -1.0
12 O2 O O2 N N N 0 6.563 0.109 0.896
13 N2 N N2 N N N 0 5.598 0.099 -1.348
14 C8 C C8 N N N 0 5.621 -0.382 -2.732
15 C4 C C4 N Y N 0 2.049 1.294 0.463
16 C3 C C3 N Y N 0 3.177 2.088 0.554
17 N1 N N1 N N N 0 3.122 3.279 1.283
18 C2 C C2 N N N 0 1.879 3.674 1.948
19 C1 C C1 N N N 0 2.088 5.007 2.67
20 N3 N N3 N N N 0 -0.262 -0.375 0.237
21 C14 C C14 S N N 0 -1.457 -1.215 0.126
22 C15 C C15 N N N 0 -1.419 -2.3 1.205
23 C16 C C16 N Y N 0 -0.257 -3.224 0.949
24 C21 C C21 N Y N 0 0.979 -2.952 1.506
25 C20 C C20 N Y N 0 2.045 -3.8 1.271
26 C19 C C19 N Y N 0 1.876 -4.919 0.478
27 C18 C C18 N Y N 0 0.64 -5.192 -0.079
28 C17 C C17 N Y N 0 -0.427 -4.347 0.16
29 C22 C C22 R N N 0 -2.706 -0.352 0.314
30 O4 O O4 N N N 0 -2.731 0.167 1.645
31 C23 C C23 N N N 0 -3.954 -1.204 0.075
32 N4 N N4 N N N 0 -5.148 -0.35 0.137
33 C24 C C24 N N N 0 -6.369 -1.136 -0.089
34 C25 C C25 N Y N 0 -7.57 -0.229 -0.018
35 C31 C C31 N Y N 0 -8.035 0.391 -1.162
36 C29 C C29 N Y N 0 -9.141 1.226 -1.097
37 O5 O O5 N N N 0 -9.601 1.837 -2.22
38 C30 C C30 N N N 0 -10.744 2.682 -2.078
39 C28 C C28 N Y N 0 -9.778 1.436 0.118
40 C27 C C27 N Y N 0 -9.309 0.814 1.259
41 C26 C C26 N Y N 0 -8.21 -0.022 1.19
42 H3 H H3 N N N 0 -0.295 0.452 0.743
43 H6 H H6 N N N 0 3.322 -1.198 -1.443
44 H4 H H4 N N N 0 1.136 1.597 0.954
45 H111 H H111 N N N 0 5.122 3.693 0.194
46 H112 H H112 N N N 0 6.108 2.419 0.934
47 H101 H H101 N N N 0 5.885 2.298 -2.031
48 H102 H H102 N N N 0 6.772 3.697 -1.378
49 H91C H H91C N N N 0 8.284 1.698 -1.782
50 H92C H H92C N N N 0 8.242 2.172 -0.059
51 H81C H H81C N N N 0 5.809 0.455 -3.405
52 H82C H H82C N N N 0 6.411 -1.124 -2.846
53 H83C H H83C N N N 0 4.659 -0.834 -2.975
54 H1 H H1 N N N 0 3.908 3.843 1.348
55 H21C H H21C N N N 0 1.088 3.784 1.205
56 H22C H H22C N N N 0 1.594 2.91 2.671
57 H11C H H11C N N N 0 2.878 4.897 3.412
58 H12C H H12C N N N 0 2.372 5.771 1.947
59 H13C H H13C N N N 0 1.163 5.301 3.165
60 H14 H H14 N N N 0 -1.482 -1.683 -0.858
61 H151 H H151 N N N 0 -1.304 -1.834 2.184
62 H152 H H152 N N N 0 -2.348 -2.869 1.18
63 H22 H H22 N N N 0 -2.687 0.473 -0.398
64 H21 H H21 N N N 0 1.111 -2.077 2.125
65 H17 H H17 N N N 0 -1.394 -4.562 -0.272
66 H20 H H20 N N N 0 3.01 -3.587 1.706
67 H19 H H19 N N N 0 2.709 -5.581 0.294
68 H18 H H18 N N N 0 0.508 -6.067 -0.698
69 HA H HA N N N 0 -2.748 -0.513 2.332
70 H231 H H231 N N N 0 -3.893 -1.672 -0.908
71 H232 H H232 N N N 0 -4.02 -1.976 0.841
72 HB H HB N N N 0 -5.194 0.145 1.014
73 H241 H H241 N N N 0 -6.324 -1.603 -1.072
74 H242 H H242 N N N 0 -6.451 -1.908 0.677
75 H31 H H31 N N N 0 -7.537 0.227 -2.106
76 H26 H H26 N N N 0 -7.848 -0.511 2.082
77 H28 H H28 N N N 0 -10.639 2.086 0.172
78 H301 H H301 N N N 0 -11.582 2.099 -1.699
79 H302 H H302 N N N 0 -10.515 3.487 -1.38
80 H303 H H303 N N N 0 -11.005 3.106 -3.048
81 H27 H H27 N N N 0 -9.805 0.977 2.205