Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : K47

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N01 N N1 N Y N 0 4.068 -1.873 -0.032
2 C02 C C1 N Y N 0 3.911 -0.527 -0.244
3 N03 N N2 N Y N 0 2.634 -0.234 -0.295
4 C04 C C2 N Y N 0 1.906 -1.362 -0.119
5 C05 C C3 N Y N 0 0.533 -1.65 -0.078
6 N06 N N3 N Y N 0 0.155 -2.907 0.119
7 C07 C C4 N Y N 0 1.043 -3.872 0.273
8 N08 N N4 N Y N 0 2.341 -3.65 0.243
9 C09 C C5 N Y N 0 2.813 -2.424 0.051
10 C10 C C6 N N N 0 5.34 -2.591 0.079
11 C11 C C7 N Y N 0 5.014 0.445 -0.394
12 O12 O O1 N N N 0 -0.386 -0.667 -0.235
13 C13 C C8 S N N 0 -1.762 -1.05 -0.18
14 C14 C C9 N N N 0 -2.624 -0.12 -1.059
15 N15 N N5 N N N 0 -3.878 0.129 -0.333
16 C16 C C10 N N N 0 -3.845 -0.619 0.937
17 C17 C C11 N N N 0 -2.339 -0.818 1.242
18 C18 C C12 N N N 0 -4.889 0.912 -0.757
19 O19 O O2 N N N 0 -4.807 1.483 -1.824
20 C20 C C13 N N N 0 -6.122 1.078 0.094
21 C21 C C14 N N N 0 -7.11 2.011 -0.612
22 C22 C C15 N N N 0 -8.39 2.112 0.222
23 O23 O O3 N N N 0 -8.94 0.806 0.407
24 C24 C C16 N N N 0 -8.079 -0.097 1.104
25 C25 C C17 N N N 0 -6.786 -0.286 0.305
26 C26 C C18 N Y N 0 5.115 1.669 0.231
27 N27 N N6 N Y N 0 6.265 2.236 -0.176
28 N28 N N7 N Y N 0 6.898 1.362 -1.067
29 C29 C C19 N Y N 0 6.163 0.29 -1.198
30 C30 C C20 N N N 0 4.119 2.263 1.194
31 C31 C C21 N N N 0 6.77 3.547 0.242
32 C32 C C22 N N N 0 7.641 3.384 1.489
33 H1 H H1 N N N 0 0.692 -4.881 0.431
34 H2 H H2 N N N 0 5.703 -2.844 -0.917
35 H3 H H3 N N N 0 6.071 -1.959 0.583
36 H4 H H4 N N N 0 5.192 -3.505 0.655
37 H5 H H5 N N N 0 -1.884 -2.09 -0.483
38 H6 H H6 N N N 0 -2.1 0.821 -1.228
39 H7 H H7 N N N 0 -2.838 -0.604 -2.012
40 H8 H H8 N N N 0 -4.319 -0.041 1.731
41 H9 H H9 N N N 0 -4.341 -1.583 0.823
42 H10 H H10 N N N 0 -2.18 -1.691 1.875
43 H11 H H11 N N N 0 -1.911 0.076 1.696
44 H12 H H12 N N N 0 -5.844 1.503 1.059
45 H13 H H13 N N N 0 -6.665 3.001 -0.717
46 H14 H H14 N N N 0 -7.348 1.612 -1.598
47 H15 H H15 N N N 0 -8.158 2.549 1.193
48 H16 H H16 N N N 0 -9.113 2.741 -0.297
49 H17 H H17 N N N 0 -7.843 0.312 2.086
50 H18 H H18 N N N 0 -8.578 -1.059 1.22
51 H19 H H19 N N N 0 -7.017 -0.732 -0.662
52 H20 H H20 N N N 0 -6.11 -0.939 0.857
53 H21 H H21 N N N 0 6.391 -0.563 -1.82
54 H22 H H22 N N N 0 4.373 1.965 2.21
55 H23 H H23 N N N 0 4.143 3.35 1.117
56 H24 H H24 N N N 0 3.119 1.904 0.949
57 H25 H H25 N N N 0 7.364 3.98 -0.562
58 H26 H H26 N N N 0 5.93 4.204 0.468
59 H27 H H27 N N N 0 8.016 4.359 1.8
60 H28 H H28 N N N 0 7.046 2.95 2.293
61 H29 H H29 N N N 0 8.48 2.726 1.263