Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JCT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


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 15.304 29.477 -8.483
2 N1 N N1 N N N 0 16.355 29.631 -7.507
3 O1 O O1 N N N 0 14.084 29.6 -8.179
4 S1 S S1 N N N 0 18.038 26.834 -8.703
5 C2 C C2 R N N 0 17.636 29.352 -8.097
6 N2 N N2 N N N 0 15.856 29.074 -9.721
7 O2 O O2 N N N 0 19.286 26.741 -15.242
8 C3 C C3 N N N 0 18.345 27.902 -7.758
9 N3 N N3 N N N 0 21.135 25.814 -14.726
10 C4 C C4 S N N 0 17.265 29.092 -9.673
11 C5 C C5 S N N 0 18.096 27.868 -10.193
12 C6 C C6 N N N 0 17.538 27.068 -11.342
13 C7 C C7 N N N 0 18.539 26.057 -11.959
14 C8 C C8 N N N 0 17.927 25.321 -13.129
15 C9 C C9 N N N 0 19.075 24.681 -13.905
16 C10 C C10 N N N 0 19.775 25.886 -14.654
17 C11 C C11 N N N 0 22.932 26.434 -16.279
18 C12 C C12 N N N 0 21.887 26.924 -15.396
19 N4 N N4 N N N 0 23.798 25.571 -15.413
20 C13 C C13 N N N 0 23.111 24.378 -14.838
21 N5 N N5 N Y N 0 27.889 25.357 -16.462
22 C14 C C14 N N N 0 21.898 24.854 -14.074
23 O3 O O3 N N N 0 28.744 25.479 -19.228
24 O4 O O4 N N N 0 26.439 25.703 -19.904
25 C17 C C15 N Y N 0 26.982 25.495 -17.42
26 C19 C C16 N Y N 0 27.59 25.275 -15.091
27 C18 C C17 N Y N 0 26.277 25.342 -14.631
28 C20 C C18 N Y N 0 28.647 25.107 -14.103
29 C16 C C19 N Y N 0 25.624 25.606 -17.088
30 C21 C C20 N Y N 0 28.402 25.069 -12.679
31 C15 C C21 N Y N 0 25.238 25.531 -15.712
32 C23 C C22 N Y N 0 26.043 25.2 -13.332
33 C22 C C23 N Y N 0 27.041 25.145 -12.275
34 C24 C C24 N N N 0 27.402 25.58 -18.908
35 C27 C C27 N N N 0 31.914 25.912 -17.927
36 RU1 RU RU1 N N N 0 29.893 25.224 -17.373
37 C25 C C25 N N N 0 31.07 26.967 -17.948
38 C26 C C26 N N N 0 30.554 27.112 -16.709
39 C28 C C28 N N N 0 31.918 25.406 -16.675
40 C29 C C29 N N N 0 31.078 26.149 -15.923
41 O5 O O5 N N N 0 29.967 23.171 -17.598
42 H1 H H1 N N N 0 16.212 29.895 -6.553
43 H2 H H2 N N N 0 18.362 30.173 -7.996
44 H3 H H3 N N N 0 15.319 28.812 -10.523
45 H4 H H4 N N N 0 18.01 27.583 -6.76
46 H5 H H5 N N N 0 19.435 28.048 -7.749
47 H9 H H9 N N N 0 17.226 27.769 -12.13
48 H6 H H6 N N N 0 17.626 29.976 -10.22
49 H7 H H7 N N N 0 19.144 28.152 -10.366
50 H8 H H8 N N N 0 16.663 26.509 -10.98
51 H10 H H10 N N N 0 19.43 26.601 -12.305
52 H11 H H11 N N N 0 18.831 25.327 -11.19
53 H12 H H12 N N N 0 17.237 24.545 -12.767
54 H13 H H13 N N N 0 17.381 26.025 -13.774
55 H14 H H14 N N N 0 19.78 24.189 -13.219
56 H15 H H15 N N N 0 18.692 23.945 -14.627
57 H16 H H16 N N N 0 22.499 25.846 -17.101
58 H17 H H17 N N N 0 23.512 27.272 -16.694
59 H18 H H18 N N N 0 21.179 27.524 -15.986
60 H19 H H19 N N N 0 22.347 27.556 -14.622
61 H20 H H20 N N N 0 22.799 23.702 -15.648
62 H21 H H21 N N N 0 23.794 23.847 -14.159
63 H22 H H22 N N N 0 22.241 25.281 -13.12
64 H23 H H23 N N N 0 21.255 23.983 -13.877
65 H24 H H24 N N N 0 29.664 25.006 -14.452
66 H25 H H25 N N N 0 24.881 25.746 -17.859
67 H26 H H26 N N N 0 29.206 24.988 -11.963
68 H27 H H27 N N N 0 25.009 25.117 -13.03
69 H28 H H28 N N N 0 26.761 25.161 -11.232