Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J3I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 6.575 -1.472 -0.341
2 C2 C C2 N N N 0 5.174 -1.706 0.233
3 C3 C C3 N N N 0 4.204 -0.687 -0.37
4 C4 C C4 N N N 0 2.796 -0.94 0.175
5 C5 C C5 N N N 0 0.539 -0.089 -0.169
6 C6 C C6 S N N 0 -0.437 0.833 -0.854
7 C9 C C7 N N N 0 -2.279 1.837 0.296
8 C10 C C8 N N N 0 -2.479 -0.559 -0.429
9 C11 C C9 R N N 0 -3.868 -0.659 0.148
10 C12 C C10 N N N 0 -4.87 -0.032 -0.823
11 C13 C C11 N Y N 0 -6.239 -0.022 -0.194
12 C15 C C12 N Y N 0 -7.901 1.073 1.138
13 C18 C C13 N Y N 0 -7.088 -1.099 -0.368
14 N N N1 N N N 0 9.026 -0.751 0.841
15 C C C14 N N N 0 8.132 0.243 0.521
16 O O O1 N N N 0 0.148 -0.87 0.672
17 C14 C C15 N Y N 0 -6.645 1.063 0.561
18 C16 C C16 N Y N 0 -8.752 -0.002 0.96
19 C17 C C17 N Y N 0 -8.344 -1.089 0.209
20 C19 C C18 N N N 0 4.649 0.728 0.005
21 C20 C C19 N N N 0 6.044 0.989 -0.571
22 C7 C C20 N N N 0 -0.077 2.302 -0.546
23 C8 C C21 N N N 0 -1.467 2.971 -0.377
24 N1 N N2 N N N 0 8.403 1.483 0.817
25 N2 N N3 N N N 0 6.952 -0.07 -0.112
26 N3 N N4 N N N 0 1.847 -0.044 -0.491
27 N4 N N5 N N N 0 -1.793 0.598 -0.337
28 N5 N N6 N N N 0 -4.209 -2.072 0.36
29 O1 O O2 N N N 0 -1.979 -1.519 -0.975
30 H1 H H1 N N N 0 7.288 -2.128 0.158
31 H2 H H2 N N N 0 6.572 -1.681 -1.41
32 H3 H H3 N N N 0 4.843 -2.714 -0.015
33 H4 H H4 N N N 0 5.2 -1.586 1.316
34 H5 H H5 N N N 0 4.197 -0.79 -1.455
35 H6 H H6 N N N 0 2.514 -1.975 -0.015
36 H7 H H7 N N N 0 2.783 -0.751 1.248
37 H8 H H8 N N N 0 -0.415 0.662 -1.93
38 H9 H H9 N N N 0 -2.085 1.816 1.369
39 H10 H H10 N N N 0 -3.344 1.969 0.107
40 H11 H H11 N N N 0 -3.905 -0.13 1.1
41 H12 H H12 N N N 0 -4.566 0.99 -1.049
42 H13 H H13 N N N 0 -4.897 -0.616 -1.743
43 H14 H H14 N N N 0 -8.217 1.92 1.728
44 H15 H H15 N N N 0 -6.77 -1.948 -0.954
45 H16 H H16 N N N 0 8.794 -1.68 0.686
46 H17 H H17 N N N 0 9.889 -0.523 1.221
47 H18 H H18 N N N 0 -5.98 1.903 0.701
48 H19 H H19 N N N 0 -9.733 0.005 1.411
49 H20 H H20 N N N 0 -9.008 -1.93 0.073
50 H21 H H21 N N N 0 3.945 1.452 -0.405
51 H22 H H22 N N N 0 4.68 0.825 1.09
52 H23 H H23 N N N 0 5.997 0.983 -1.66
53 H24 H H24 N N N 0 6.406 1.958 -0.227
54 H25 H H25 N N N 0 0.5 2.372 0.377
55 H26 H H26 N N N 0 0.468 2.748 -1.378
56 H27 H H27 N N N 0 -1.893 3.236 -1.344
57 H28 H H28 N N N 0 -1.403 3.845 0.273
58 H29 H H29 N N N 0 7.741 2.175 0.662
59 H30 H H30 N N N 0 2.16 0.581 -1.163
60 H31 H H31 N N N 0 -4.182 -2.585 -0.508
61 H32 H H32 N N N 0 -3.601 -2.492 1.047