Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KE2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 6.377 1.673 -0.192
2 C02 C C2 N Y N 0 5.198 0.771 -0.447
3 C03 C C3 N Y N 0 3.913 1.243 -0.261
4 C04 C C4 N Y N 0 2.83 0.417 -0.5
5 C05 C C5 N N N 0 1.43 0.935 -0.296
6 C06 C C6 S N N 0 0.991 0.667 1.145
7 C08 C C7 N N N 0 -0.218 -1.458 1.355
8 C10 C C8 S N N 0 -1.547 -0.811 1.117
9 C11 C C9 N N N 0 -1.97 -1.053 -0.333
10 C12 C C10 N Y N 0 -3.377 -0.552 -0.536
11 C13 C C11 N Y N 0 -4.449 -1.398 -0.319
12 C14 C C12 N Y N 0 -5.74 -0.941 -0.504
13 C15 C C13 N Y N 0 -5.959 0.368 -0.908
14 C17 C C14 N Y N 0 -4.882 1.215 -1.125
15 C18 C C15 N Y N 0 -3.594 0.755 -0.933
16 C20 C C16 N N N 0 -0.343 1.31 1.38
17 C22 C C17 N Y N 0 3.03 -0.883 -0.925
18 C23 C C18 N Y N 0 4.313 -1.36 -1.113
19 C24 C C19 N Y N 0 5.401 -0.534 -0.874
20 N07 N N1 N N N 0 0.929 -0.772 1.364
21 O21 O O3 N N N 0 -0.383 2.503 1.593
22 N19 N N2 N N N 0 -1.489 0.623 1.365
23 O09 O O1 N N N 0 -0.181 -2.655 1.546
24 O16 O O2 N N N 0 -7.228 0.82 -1.092
25 O25 O O4 N N N 0 6.664 -0.999 -1.063
26 H1 H H1 N N N 0 6.632 2.206 -1.108
27 H2 H H2 N N N 0 6.123 2.392 0.588
28 H3 H H3 N N N 0 7.23 1.075 0.129
29 H4 H H4 N N N 0 3.754 2.258 0.072
30 H5 H H5 N N N 0 1.407 2.008 -0.489
31 H6 H H6 N N N 0 0.751 0.428 -0.983
32 H7 H H7 N N N 0 1.722 1.101 1.827
33 H8 H H8 N N N 0 -2.285 -1.259 1.783
34 H9 H H9 N N N 0 -1.295 -0.52 -1.002
35 H10 H H10 N N N 0 -1.93 -2.12 -0.55
36 H11 H H11 N N N 0 -4.277 -2.416 -0.005
37 H15 H H15 N N N 0 2.182 -1.526 -1.111
38 H12 H H12 N N N 0 -6.576 -1.602 -0.336
39 H13 H H13 N N N 0 -5.051 2.235 -1.439
40 H14 H H14 N N N 0 -2.755 1.415 -1.097
41 H16 H H16 N N N 0 4.469 -2.376 -1.445
42 H17 H H17 N N N 0 1.756 -1.253 1.525
43 H18 H H18 N N N 0 -2.318 1.1 1.525
44 H19 H H19 N N N 0 -7.626 1.206 -0.3
45 H20 H H20 N N N 0 7.055 -1.405 -0.277