Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : Q55

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N1 N N N 0 5.607 -0.138 -0.097
2 C1 C C1 N Y N 0 2.543 2.045 -0.119
3 C2 C C2 N Y N 0 1.601 1.023 -0.095
4 O1 O O1 N N N 0 -4.901 -2.173 -0.694
5 C19 C C3 N N N 0 -5.934 -3.071 -1.104
6 C15 C C4 N Y N 0 -5.291 -0.989 -0.156
7 N4 N N2 N Y N 0 -6.578 -0.717 -0.035
8 C16 C C5 N Y N 0 -7.002 0.422 0.482
9 C17 C C6 N Y N 0 -6.108 1.38 0.918
10 C18 C C7 N Y N 0 -4.746 1.138 0.811
11 C14 C C8 N Y N 0 -4.33 -0.072 0.269
12 N3 N N3 N N N 0 -2.965 -0.363 0.145
13 C13 C C9 N Y N 0 -2.046 0.665 0.015
14 N1 N N4 N Y N 0 -2.484 1.91 -0.112
15 C12 C C10 N Y N 0 -1.638 2.92 -0.238
16 C11 C C11 N Y N 0 -0.278 2.668 -0.237
17 C10 C C12 N Y N 0 0.154 1.345 -0.102
18 C C C13 N Y N 0 3.901 1.74 -0.116
19 C20 C C14 N N N 0 4.872 2.792 -0.139
20 N5 N N5 N N N 0 5.642 3.627 -0.157
21 C5 C C15 N Y N 0 4.321 0.394 -0.09
22 C4 C C16 N Y N 0 3.363 -0.614 -0.06
23 C3 C C17 N Y N 0 2.022 -0.31 -0.065
24 C7 C C18 S N N 0 4.089 -1.945 -0.024
25 C8 C C19 N N N 0 4.077 -2.607 -1.403
26 C9 C C20 N N N 0 3.476 -2.87 1.029
27 O O O2 N N N 0 4.18 -4.113 1.04
28 C6 C C21 N N N 0 5.526 -1.537 0.375
29 N2 N N6 N Y N 0 -0.754 0.38 0.026
30 H2 H H1 N N N 0 6.013 -0.09 -1.02
31 H H H2 N N N 0 2.221 3.076 -0.141
32 H17 H H3 N N N 0 -6.553 -3.329 -0.244
33 H19 H H4 N N N 0 -6.55 -2.593 -1.865
34 H18 H H5 N N N 0 -5.486 -3.976 -1.514
35 H14 H H6 N N N 0 -8.063 0.607 0.564
36 H15 H H7 N N N 0 -6.466 2.308 1.339
37 H16 H H8 N N N 0 -4.027 1.871 1.145
38 H13 H H9 N N N 0 -2.664 -1.285 0.151
39 H12 H H10 N N N 0 -2.005 3.93 -0.341
40 H11 H H11 N N N 0 0.434 3.474 -0.339
41 H5 H H15 N N N 0 3.046 -2.778 -1.715
42 H1 H H12 N N N 0 1.29 -1.104 -0.045
43 H7 H H13 N N N 0 4.572 -1.956 -2.124
44 H6 H H14 N N N 0 4.603 -3.56 -1.353
45 H8 H H16 N N N 0 3.55 -2.402 2.011
46 H9 H H17 N N N 0 2.427 -3.048 0.79
47 H10 H H18 N N N 0 3.843 -4.75 1.685
48 H4 H H19 N N N 0 6.261 -2.16 -0.135
49 H3 H H20 N N N 0 5.657 -1.589 1.456