Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KLY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 42


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C15 C C1 N Y N 0 2.683 0.846 -0.032
2 C14 C C2 N Y N 0 2.843 2.23 0.041
3 C11 C C3 N Y N 0 0.35 1.093 0.483
4 C12 C C4 N Y N 0 0.512 2.464 0.553
5 C19 C C5 N N N 0 5.88 -1.542 -0.875
6 C21 C C6 N N N 0 7.251 -3.35 -0.03
7 N20 N N1 N N N 0 6.104 -2.472 0.24
8 C18 C C7 N N N 0 4.726 -0.68 -0.571
9 C17 C C8 N N N 0 3.806 0.007 -0.328
10 C16 C C9 N Y N 0 1.427 0.281 0.192
11 C13 C C10 N Y N 0 1.757 3.033 0.333
12 F13 F F1 N N N 0 1.908 4.373 0.403
13 C09 C C11 N N N 0 -1.007 0.483 0.724
14 C08 C C12 N N N 0 -1.765 0.385 -0.602
15 C06 C C13 N Y N 0 -3.122 -0.225 -0.361
16 C05 C C14 N Y N 0 -4.254 0.447 -0.775
17 C04 C C15 N Y N 0 -5.502 -0.119 -0.55
18 C07 C C16 N N N 0 -6.759 0.586 -0.99
19 C03 C C17 N Y N 0 -5.565 -1.346 0.085
20 C02 C C18 N Y N 0 -4.383 -1.968 0.476
21 N02 N N2 N N N 0 -4.432 -3.201 1.115
22 N01 N N3 N Y N 0 -3.212 -1.397 0.239
23 H1 H H1 N N N 0 3.813 2.673 -0.131
24 H2 H H2 N N N 0 -0.335 3.095 0.781
25 H3 H H3 N N N 0 6.767 -0.925 -1.017
26 H4 H H4 N N N 0 5.681 -2.107 -1.786
27 H5 H H5 N N N 0 7.394 -4.029 0.811
28 H6 H H6 N N N 0 7.061 -3.928 -0.934
29 H7 H H7 N N N 0 8.147 -2.745 -0.166
30 H8 H H8 N N N 0 5.273 -3.011 0.433
31 H10 H H10 N N N 0 1.298 -0.79 0.137
32 H11 H H11 N N N 0 -0.887 -0.513 1.149
33 H12 H H12 N N N 0 -1.569 1.109 1.418
34 H13 H H13 N N N 0 -1.885 1.381 -1.027
35 H14 H H14 N N N 0 -1.204 -0.241 -1.296
36 H15 H H15 N N N 0 -4.17 1.404 -1.268
37 H16 H H16 N N N 0 -7.01 0.282 -2.006
38 H17 H H17 N N N 0 -7.577 0.323 -0.319
39 H18 H H18 N N N 0 -6.599 1.664 -0.962
40 H19 H H19 N N N 0 -6.519 -1.815 0.276
41 H20 H H20 N N N 0 -5.287 -3.625 1.287
42 H21 H H21 N N N 0 -3.61 -3.638 1.389