Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JAO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 57


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CAB C CAB N N N 0 7.718 1.406 -0.725
2 CAE C CAE N N N 0 8.858 -0.701 -0.014
3 CAF C CAF N N N 0 -11.122 -0.273 -0.15
4 CAG C CAG N N N 0 -9.857 0.522 0.18
5 CAH C CAH N N N 0 -8.624 -0.322 -0.148
6 CAI C CAI N N N 0 -7.359 0.474 0.182
7 CAJ C CAJ N N N 0 -6.126 -0.37 -0.146
8 CAK C CAK N N N 0 -4.861 0.426 0.184
9 CAL C CAL N N N 0 -3.628 -0.418 -0.143
10 CAM C CAM N N N 0 -2.363 0.378 0.186
11 CAN C CAN N N N 0 -1.13 -0.466 -0.141
12 CAO C CAO N N N 0 0.135 0.33 0.188
13 CAP C CAP N N N 0 1.368 -0.514 -0.139
14 CAQ C CAQ N N N 0 2.633 0.282 0.19
15 CAR C CAR N N N 0 3.866 -0.562 -0.137
16 CAS C CAS N N N 0 5.131 0.234 0.192
17 CAT C CAT N N N 0 6.365 -0.61 -0.135
18 CAU C CAU S N N 0 7.629 0.186 0.194
19 H1 H H1 N N N 0 8.619 1.972 -0.49
20 H10 H H10 N N N 0 -8.642 -1.236 0.445
21 H11 H H11 N N N 0 -8.628 -0.575 -1.208
22 H12 H H12 N N N 0 -7.341 1.389 -0.411
23 H13 H H13 N N N 0 -7.355 0.728 1.242
24 H14 H H14 N N N 0 -6.144 -1.285 0.447
25 H15 H H15 N N N 0 -6.129 -0.623 -1.206
26 H16 H H16 N N N 0 -4.843 1.341 -0.408
27 H17 H H17 N N N 0 -4.857 0.68 1.244
28 H18 H H18 N N N 0 -3.646 -1.333 0.449
29 H19 H H19 N N N 0 -2.345 1.293 -0.406
30 H2 H H2 N N N 0 7.756 1.076 -1.763
31 H20 H H20 N N N 0 -1.148 -1.381 0.451
32 H21 H H21 N N N 0 -1.133 -0.719 -1.201
33 H22 H H22 N N N 0 0.153 1.245 -0.404
34 H23 H H23 N N N 0 0.139 0.583 1.248
35 H24 H H24 N N N 0 1.35 -1.429 0.453
36 H25 H H25 N N N 0 1.365 -0.767 -1.199
37 H26 H H26 N N N 0 2.651 1.197 -0.402
38 H27 H H27 N N N 0 2.637 0.535 1.25
39 H28 H H28 N N N 0 3.848 -1.477 0.455
40 H29 H H29 N N N 0 3.862 -0.816 -1.197
41 H3 H H3 N N N 0 6.842 2.037 -0.576
42 H30 H H30 N N N 0 5.149 1.149 -0.4
43 H31 H H31 N N N 0 6.346 -1.525 0.457
44 H32 H H32 N N N 0 7.591 0.515 1.233
45 H33 H H33 N N N 0 -3.632 -0.671 -1.204
46 H34 H H34 N N N 0 -2.359 0.632 1.246
47 H35 H H35 N N N 0 5.135 0.487 1.252
48 H36 H H36 N N N 0 6.36 -0.864 -1.195
49 H37 H H37 N N N 0 8.946 -0.957 -1.07
50 H38 H H38 N N N 0 10.849 -0.5 0.299
51 H4 H H4 N N N 0 8.753 -1.612 0.574
52 H5 H H5 N N N 0 -11.14 -1.188 0.443
53 H6 H H6 N N N 0 -12.0 0.328 0.083
54 H7 H H7 N N N 0 -11.126 -0.527 -1.21
55 H8 H H8 N N N 0 -9.839 1.437 -0.413
56 H9 H H9 N N N 0 -9.853 0.776 1.24
57 O3 O O3 N N N 0 10.03 0.0030 0.403