Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ENB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 3.321 0.635 0.468
2 C2 C C2 N N N 0 4.509 -0.249 0.748
3 N1 N N1 N N N 0 2.1 -0.023 0.938
4 C3 C C3 N N N 0 0.916 0.261 0.36
5 C4 C C4 S N N 0 -0.324 -0.486 0.778
6 O1 O O1 N N N 0 0.849 1.117 -0.495
7 N2 N N2 N N N 0 -1.471 0.003 0.009
8 C5 C C5 N Y N 0 -0.136 -1.959 0.517
9 C6 C C6 N Y N 0 -0.31 -2.462 -0.758
10 C7 C C7 N Y N 0 -0.132 -3.812 -0.998
11 C8 C C8 N Y N 0 0.21 -4.66 0.039
12 C9 C C9 N Y N 0 0.379 -4.157 1.315
13 C10 C C10 N Y N 0 0.206 -2.806 1.555
14 C11 C C11 N N N 0 -2.717 -0.114 0.509
15 C12 C C12 S N N 0 -3.897 0.39 -0.283
16 O2 O O2 N N N 0 -2.889 -0.623 1.596
17 N3 N N3 N N N 0 -5.129 0.149 0.471
18 C13 C C13 N N N 0 -6.305 0.032 -0.178
19 O3 O O3 N N N 0 -7.438 -0.19 0.515
20 O4 O O4 N N N 0 -6.342 0.127 -1.389
21 C14 C C14 N N N 0 -8.704 -0.315 -0.184
22 C15 C C15 N N N 0 3.495 1.969 1.198
23 C16 C C16 S N N 0 4.693 2.719 0.611
24 C17 C C17 N N N 0 4.992 3.991 1.437
25 C18 C C18 N N N 0 5.426 4.986 0.338
26 N4 N N4 N N N 0 4.781 4.514 -0.894
27 C19 C C19 N N N 0 4.366 3.239 -0.772
28 O5 O O5 N N N 0 3.81 2.603 -1.642
29 C20 C C20 N N N 0 -3.739 1.89 -0.535
30 C21 C C21 N N N 0 -4.936 2.401 -1.339
31 C22 C C22 N N N 0 -3.67 2.628 0.803
32 C23 C C23 N N N 0 -8.632 -1.491 -1.161
33 C24 C C24 N N N 0 -9.824 -0.561 0.829
34 C25 C C25 N N N 0 -8.99 0.974 -0.957
35 C26 C C26 N N N 0 5.271 -0.677 -0.255
36 C27 C C27 N N N 0 6.429 -1.54 0.018
37 O6 O O6 N N N 0 7.201 -1.973 -0.998
38 O7 O O7 N N N 0 6.691 -1.862 1.161
39 C28 C C28 N N N 0 8.346 -2.826 -0.728
40 C29 C C29 N N N 0 9.045 -3.172 -2.044
41 H1 H H1 N N N 0 3.247 0.815 -0.605
42 H2 H H2 N N N 0 4.741 -0.535 1.763
43 HN1 H HN1 N N N 0 2.144 -0.664 1.665
44 H4 H H4 N N N 0 -0.505 -0.326 1.841
45 HN2 H HN2 N N N 0 -1.334 0.411 -0.861
46 H6 H H6 N N N 0 -0.577 -1.8 -1.569
47 H7 H H7 N N N 0 -0.264 -4.205 -1.996
48 H8 H H8 N N N 0 0.346 -5.715 -0.148
49 H9 H H9 N N N 0 0.646 -4.819 2.126
50 H10 H H10 N N N 0 0.338 -2.413 2.552
51 H12 H H12 N N N 0 -3.946 -0.136 -1.236
52 HN3 H HN3 N N N 0 -5.1 0.073 1.438
53 H151 H 1H15 N N N 0 2.594 2.57 1.075
54 H152 H 2H15 N N N 0 3.666 1.783 2.258
55 H16 H H16 N N N 0 5.569 2.071 0.578
56 H171 H 1H17 N N N 0 4.096 4.343 1.95
57 H172 H 2H17 N N N 0 5.801 3.815 2.145
58 H181 H 1H18 N N N 0 5.082 5.991 0.581
59 H182 H 2H18 N N N 0 6.51 4.974 0.225
60 HN4 H HN4 N N N 0 4.67 5.051 -1.694
61 H20 H H20 N N N 0 -2.822 2.07 -1.096
62 H211 H 1H21 N N N 0 -4.824 3.47 -1.519
63 H212 H 2H21 N N N 0 -4.985 1.875 -2.292
64 H213 H 3H21 N N N 0 -5.853 2.222 -0.778
65 H221 H 1H22 N N N 0 -2.817 2.264 1.376
66 H222 H 2H22 N N N 0 -3.558 3.698 0.623
67 H223 H 3H22 N N N 0 -4.587 2.449 1.364
68 H231 H 1H23 N N N 0 -8.429 -2.409 -0.61
69 H232 H 2H23 N N N 0 -9.583 -1.585 -1.686
70 H233 H 3H23 N N N 0 -7.835 -1.315 -1.883
71 H241 H 1H24 N N N 0 -9.875 0.276 1.525
72 H242 H 2H24 N N N 0 -10.774 -0.656 0.304
73 H243 H 3H24 N N N 0 -9.62 -1.48 1.38
74 H251 H 1H25 N N N 0 -8.192 1.149 -1.679
75 H252 H 2H25 N N N 0 -9.94 0.879 -1.482
76 H253 H 3H25 N N N 0 -9.04 1.811 -0.261
77 H26 H H26 N N N 0 5.039 -0.391 -1.27
78 H281 H 1H28 N N N 0 8.01 -3.742 -0.243
79 H291 H 1H29 N N N 0 9.904 -3.812 -1.841
80 H282 H 2H28 N N N 0 9.042 -2.302 -0.073
81 H292 H 2H29 N N N 0 8.349 -3.696 -2.699
82 H293 H 3H29 N N N 0 9.381 -2.256 -2.529