Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0UQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 0.741 1.615 0.77
2 C2 C C2 N N N 0 -0.113 0.349 0.675
3 N1 N N1 N N N 0 -0.548 0.153 -0.714
4 C3 C C3 S N N 0 0.6 -0.031 -1.61
5 C4 C C4 N N N 0 1.477 1.223 -1.584
6 C5 C C5 R N N 0 1.959 1.471 -0.15
7 C6 C C6 N N N 0 0.101 -0.275 -3.036
8 N2 N N2 N N N 0 2.76 0.319 0.292
9 C7 C C7 N N N 0 2.786 2.756 -0.106
10 C8 C C8 N Y N 0 2.338 -1.007 0.407
11 C9 C C9 N Y N 0 1.785 -1.46 1.599
12 C10 C C10 N Y N 0 1.367 -2.771 1.711
13 C11 C C11 N Y N 0 1.498 -3.635 0.64
14 C12 C C12 N Y N 0 2.049 -3.188 -0.55
15 C13 C C13 N Y N 0 2.464 -1.873 -0.67
16 F1 F F1 N N N 0 2.175 -4.034 -1.595
17 C14 C C14 N N N 0 -1.484 -0.974 -0.819
18 C15 C C15 N Y N 0 -2.744 -0.653 -0.056
19 C16 C C16 N Y N 0 -3.794 -0.022 -0.693
20 C17 C C17 N Y N 0 -4.954 0.273 0.009
21 C18 C C18 N Y N 0 -5.056 -0.068 1.35
22 C19 C C19 N Y N 0 -4.002 -0.7 1.982
23 C20 C C20 N Y N 0 -2.85 -0.997 1.279
24 O1 O O1 N N N 0 -5.989 0.894 -0.616
25 C21 C C21 N N N 0 -7.179 1.099 0.148
26 C22 C C22 N N N 0 -7.987 2.245 -0.463
27 C23 C C23 N N N 0 -8.019 -0.18 0.137
28 S1 S S1 N N N 0 4.279 0.925 0.626
29 N3 N N3 N N N 0 4.221 2.42 -0.121
30 O2 O O2 N N N 0 5.216 0.131 -0.089
31 C24 C C24 N N N 0 5.331 3.208 -0.661
32 O3 O O3 N N N 0 4.342 1.156 2.026
33 H1 H H1 N N N 0 0.15 2.477 0.46
34 H2 H H2 N N N 0 1.076 1.753 1.798
35 H3 H H3 N N N 0 0.475 -0.511 0.995
36 H4 H H4 N N N 0 -0.987 0.451 1.318
37 H6 H H6 N N N 0 1.185 -0.889 -1.279
38 H7 H H7 N N N 0 2.337 1.08 -2.239
39 H8 H H8 N N N 0 0.896 2.08 -1.927
40 H9 H H9 N N N 0 -0.457 0.597 -3.379
41 H10 H H10 N N N 0 0.952 -0.445 -3.695
42 H11 H H11 N N N 0 -0.549 -1.15 -3.048
43 H12 H H12 N N N 0 2.548 3.371 -0.974
44 H13 H H13 N N N 0 2.551 3.307 0.804
45 H14 H H14 N N N 0 1.683 -0.786 2.437
46 H15 H H15 N N N 0 0.938 -3.123 2.638
47 H16 H H16 N N N 0 1.171 -4.66 0.731
48 H17 H H17 N N N 0 2.889 -1.523 -1.599
49 H18 H H18 N N N 0 -1.728 -1.148 -1.867
50 H19 H H19 N N N 0 -1.024 -1.869 -0.4
51 H20 H H20 N N N 0 -3.713 0.243 -1.737
52 H21 H H21 N N N 0 -5.957 0.16 1.899
53 H22 H H22 N N N 0 -4.081 -0.965 3.026
54 H23 H H23 N N N 0 -2.029 -1.494 1.774
55 H24 H H24 N N N 0 -6.913 1.349 1.175
56 H25 H H25 N N N 0 -8.894 2.401 0.119
57 H26 H H26 N N N 0 -7.388 3.156 -0.455
58 H27 H H27 N N N 0 -8.253 1.995 -1.49
59 H28 H H28 N N N 0 -7.443 -0.997 0.573
60 H29 H H29 N N N 0 -8.927 -0.024 0.719
61 H30 H H30 N N N 0 -8.285 -0.431 -0.89
62 H31 H H31 N N N 0 5.724 3.864 0.116
63 H32 H H32 N N N 0 6.12 2.538 -1.004
64 H33 H H33 N N N 0 4.976 3.809 -1.499