Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : K51

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 N4 N N4 N N N 0 -5.633 -3.223 0.258
2 C13 C C13 N N N 0 -4.895 -2.36 0.215
3 C10 C C10 N Y N 0 -3.966 -1.272 0.161
4 C11 C C11 N Y N 0 -4.424 0.029 -0.073
5 C12 C C12 N Y N 0 -3.538 1.066 -0.125
6 C7 C C7 N Y N 0 -2.171 0.828 0.057
7 C8 C C8 N Y N 0 -1.713 -0.472 0.291
8 C9 C C9 N Y N 0 -2.599 -1.509 0.348
9 C5 C C5 N Y N 0 -1.214 1.949 0.002
10 C6 C C6 N Y N 0 -1.521 3.29 -0.118
11 N3 N N3 N Y N 0 -0.384 3.976 -0.131
12 C1 C C1 N Y N 0 0.642 3.137 -0.026
13 C2 C C2 N Y N 0 2.034 3.344 0.009
14 C3 C C3 N Y N 0 2.863 2.272 0.126
15 C4 C C4 N Y N 0 2.329 0.973 0.211
16 N1 N N1 N Y N 0 1.031 0.78 0.179
17 N2 N N2 N Y N 0 0.153 1.862 0.065
18 N5 N N5 N N N 0 3.185 -0.117 0.331
19 C14 C C14 S N N 0 2.636 -1.473 0.42
20 C15 C C15 N N N 0 3.635 -2.38 1.142
21 O1 O O1 N N N 0 4.821 -2.504 0.355
22 C16 C C16 N N N 0 2.382 -2.014 -0.989
23 C17 C C17 N N N 0 1.809 -3.429 -0.895
24 C18 C C18 N N N 0 1.383 -1.106 -1.71
25 H11 H H11 N N N 0 -5.479 0.213 -0.214
26 H12 H H12 N N N 0 -3.892 2.07 -0.306
27 H8 H H8 N N N 0 -0.658 -0.656 0.43
28 H9 H H9 N N N 0 -2.246 -2.512 0.533
29 H6 H H6 N N N 0 -2.514 3.709 -0.188
30 H2 H H2 N N N 0 2.44 4.343 -0.058
31 H3 H H3 N N N 0 3.933 2.418 0.153
32 HN5 H HN5 N N N 0 4.145 0.02 0.355
33 H14 H H14 N N N 0 1.699 -1.45 0.975
34 H151 H 1H15 N N N 0 3.884 -1.948 2.111
35 H152 H 2H15 N N N 0 3.191 -3.365 1.287
36 HO1 H HO1 N N N 0 5.5 -3.066 0.753
37 H16 H H16 N N N 0 3.319 -2.037 -1.544
38 H171 H 1H17 N N N 0 0.871 -3.406 -0.34
39 H172 H 2H17 N N N 0 1.627 -3.815 -1.899
40 H173 H 3H17 N N N 0 2.52 -4.076 -0.381
41 H181 H 1H18 N N N 0 1.792 -0.098 -1.777
42 H182 H 2H18 N N N 0 1.202 -1.492 -2.714
43 H183 H 3H18 N N N 0 0.446 -1.083 -1.155