Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4JE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 26


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 4.095 0.001 0.674
2 C5 C C2 N Y N 0 -0.166 1.197 -0.139
3 C2 C C3 N N N 0 3.375 0.002 -0.675
4 C8 C C4 N Y N 0 1.204 -1.196 -0.337
5 C3 C C5 N Y N 0 1.885 0.001 -0.45
6 O1 O O1 N N N 0 -2.911 1.249 0.814
7 S S S1 N N N 0 -2.592 -0.001 0.218
8 O O O2 N N N 0 -2.909 -1.25 0.817
9 N N N1 N N N 0 -3.307 -0.003 -1.276
10 C6 C C6 N Y N 0 -0.849 0.0 -0.037
11 C4 C C7 N Y N 0 1.201 1.198 -0.345
12 C7 C C8 N Y N 0 -0.164 -1.197 -0.135
13 C C C9 N N N 0 5.608 0.002 0.446
14 H1 H H1 N N N 0 3.812 0.89 1.238
15 H2 H H2 N N N 0 3.813 -0.89 1.236
16 H3 H H3 N N N 0 -0.701 2.132 -0.061
17 H4 H H4 N N N 0 3.657 0.893 -1.237
18 H5 H H5 N N N 0 3.658 -0.887 -1.239
19 H6 H H6 N N N 0 1.739 -2.131 -0.413
20 H7 H H7 N N N 0 -3.895 0.724 -1.533
21 H8 H H8 N N N 0 -3.136 -0.731 -1.893
22 H9 H H9 N N N 0 1.735 2.134 -0.425
23 H10 H H10 N N N 0 -0.696 -2.132 -0.046
24 H11 H H11 N N N 0 5.89 0.892 -0.116
25 H12 H H12 N N N 0 6.121 0.001 1.407
26 H13 H H13 N N N 0 5.891 -0.888 -0.118