Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : D7J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 72


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 -2.662 4.883 0.172
2 C02 C C2 N N N 0 -2.606 3.482 -0.441
3 C03 C C3 N N N 0 -1.62 3.476 -1.61
4 C05 C C4 R N N 0 -2.685 1.176 0.292
5 C06 C C5 N N N 0 -1.78 0.129 0.945
6 C08 C C6 N N N 0 0.774 -1.106 1.065
7 C09 C C7 S N N 0 2.202 -1.188 0.522
8 C10 C C8 N N N 0 2.934 -2.356 1.186
9 C11 C C9 N Y N 0 4.297 -2.514 0.563
10 C12 C C10 N Y N 0 5.38 -1.837 1.092
11 C13 C C11 N Y N 0 6.631 -1.98 0.521
12 C14 C C12 N Y N 0 6.798 -2.802 -0.579
13 C15 C C13 N Y N 0 5.715 -3.479 -1.107
14 C16 C C14 N Y N 0 4.466 -3.34 -0.532
15 C18 C C15 N N N 0 3.947 0.444 0.047
16 C21 C C16 N N N 0 5.706 1.942 -0.552
17 C22 C C17 N N N 0 5.203 2.083 -1.99
18 C23 C C18 N N N 0 6.77 0.844 -0.488
19 C24 C C19 N N N 0 6.315 3.268 -0.092
20 C25 C C20 N N N 0 -4.081 1.049 0.847
21 C28 C C21 N N N 0 -6.306 0.056 0.835
22 C29 C C22 N Y N 0 -7.069 -0.976 0.045
23 C30 C C23 N Y N 0 -7.049 -2.308 0.428
24 C31 C C24 N Y N 0 -7.765 -3.223 -0.329
25 C32 C C25 N Y N 0 -8.471 -2.78 -1.431
26 C34 C C26 N Y N 0 -7.802 -0.606 -1.066
27 N04 N N1 N N N 0 -2.165 2.519 0.577
28 N17 N N2 N N N 0 2.908 0.061 0.816
29 N27 N N3 N N N 0 -4.949 0.179 0.295
30 N33 N N4 N Y N 0 -8.467 -1.504 -1.766
31 O19 O O1 N N N 0 4.298 -0.247 -0.889
32 O20 O O2 N N N 0 4.597 1.592 0.317
33 O26 O O3 N N N 0 -4.422 1.73 1.791
34 S07 S S1 N N N 0 -0.139 0.183 0.173
35 H1 H H1 N N N 0 -2.99 5.597 -0.584
36 H2 H H2 N N N 0 -3.365 4.887 1.005
37 H3 H H3 N N N 0 -1.671 5.162 0.53
38 H4 H H4 N N N 0 -3.597 3.203 -0.8
39 H5 H H5 N N N 0 -1.529 2.463 -2.004
40 H6 H H6 N N N 0 -1.982 4.139 -2.395
41 H7 H H7 N N N 0 -0.645 3.82 -1.265
42 H8 H H8 N N N 0 -2.707 1.015 -0.786
43 H9 H H9 N N N 0 -1.688 0.342 2.01
44 H10 H H10 N N N 0 -2.213 -0.862 0.808
45 H11 H H11 N N N 0 0.276 -2.066 0.925
46 H12 H H12 N N N 0 0.802 -0.863 2.127
47 H13 H H13 N N N 0 2.172 -1.344 -0.557
48 H14 H H14 N N N 0 3.042 -2.158 2.252
49 H15 H H15 N N N 0 2.361 -3.273 1.042
50 H16 H H16 N N N 0 5.249 -1.195 1.951
51 H17 H H17 N N N 0 7.477 -1.451 0.933
52 H18 H H18 N N N 0 7.775 -2.914 -1.025
53 H19 H H19 N N N 0 5.846 -4.12 -1.966
54 H20 H H20 N N N 0 3.62 -3.869 -0.945
55 H21 H H21 N N N 0 4.446 2.865 -2.035
56 H22 H H22 N N N 0 6.036 2.345 -2.642
57 H23 H H23 N N N 0 4.769 1.138 -2.317
58 H24 H H24 N N N 0 7.602 1.106 -1.14
59 H25 H H25 N N N 0 7.128 0.744 0.536
60 H26 H H26 N N N 0 6.336 -0.101 -0.815
61 H27 H H27 N N N 0 5.558 4.051 -0.137
62 H28 H H28 N N N 0 6.674 3.168 0.932
63 H29 H H29 N N N 0 7.148 3.531 -0.744
64 H30 H H30 N N N 0 -6.814 1.018 0.762
65 H31 H H31 N N N 0 -6.255 -0.25 1.879
66 H32 H H32 N N N 0 -6.488 -2.626 1.294
67 H33 H H33 N N N 0 -7.772 -4.269 -0.06
68 H34 H H34 N N N 0 -9.032 -3.486 -2.025
69 H35 H H35 N N N 0 -7.827 0.431 -1.369
70 H36 H H36 N N N 0 -2.433 2.822 1.502
71 H38 H H38 N N N 0 2.628 0.612 1.563
72 H39 H H39 N N N 0 -4.676 -0.366 -0.46