Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : E2I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 43


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 -2.826 0.13 -0.432
2 C2 C C2 N Y N 0 -3.859 -0.657 -0.687
3 C3 C C3 N Y N 0 -5.138 -0.125 -0.656
4 C4 C C4 N Y N 0 -5.29 1.22 -0.357
5 N5 N N5 N Y N 0 -4.216 1.952 -0.112
6 C6 C C6 N Y N 0 -3.006 1.413 -0.15
7 C13 C C13 N N N 0 -6.339 -0.99 -0.941
8 C15 C C15 N N N 0 -6.845 -1.606 0.365
9 C17 C C17 N N N 0 -8.064 -2.485 0.076
10 C19 C C19 N N N 0 -8.57 -3.101 1.381
11 S21 S S21 N N N 0 -1.602 2.425 0.183
12 C23 C C23 N N N 0 -0.281 1.202 -0.005
13 C25 C C25 N N N 0 1.052 1.86 0.242
14 O27 O O27 N N N 0 1.103 3.04 0.517
15 C29 C C29 N Y N 0 2.29 1.071 0.148
16 C31 C C31 N Y N 0 3.529 1.679 0.376
17 C32 C C32 N Y N 0 4.686 0.933 0.287
18 C33 C C33 N Y N 0 4.622 -0.414 -0.027
19 C35 C C35 N Y N 0 2.234 -0.291 -0.163
20 C34 C C34 N Y N 0 3.4 -1.022 -0.254
21 S42 S S42 N N N 0 6.106 -1.358 -0.139
22 O44 O O44 N N N 0 5.812 -2.469 -0.975
23 O46 O O46 N N N 0 7.15 -0.434 -0.412
24 N48 N N48 N N N 0 6.409 -1.975 1.368
25 H2 H H2 N N N 0 -3.706 -1.701 -0.917
26 H4 H H4 N N N 0 -6.274 1.665 -0.325
27 H13 H H13 N N N 0 -7.127 -0.383 -1.385
28 H13A H H13A N N N 0 -6.058 -1.785 -1.632
29 H15 H H15 N N N 0 -6.057 -2.214 0.81
30 H15A H H15A N N N 0 -7.126 -0.812 1.057
31 H17 H H17 N N N 0 -8.852 -1.878 -0.369
32 H17A H H17A N N N 0 -7.783 -3.279 -0.616
33 H19 H H19 N N N 0 -7.782 -3.708 1.826
34 H19A H H19A N N N 0 -8.851 -2.307 2.073
35 H19B H H19B N N N 0 -9.438 -3.727 1.175
36 H23 H H23 N N N 0 -0.427 0.396 0.715
37 H23A H H23A N N N 0 -0.304 0.794 -1.015
38 H31 H H31 N N N 0 3.58 2.729 0.621
39 H32 H H32 N N N 0 5.643 1.4 0.463
40 H34 H H34 N N N 0 3.359 -2.073 -0.499
41 H35 H H35 N N N 0 1.281 -0.768 -0.336
42 HN48 H HN48 N N N 0 5.805 -1.781 2.102
43 HN4A H HN4A N N N 0 7.19 -2.53 1.517