Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DI4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 B1 B B1 N N N 0 -1.418 1.384 -3.846
2 C C C R N N 0 -0.472 0.214 -3.399
3 C2 C C2 N N N 0 -0.169 -0.684 -4.6
4 C3 C C3 N N N 0 0.517 0.137 -5.692
5 C4 C C4 N N N 0 0.819 -0.76 -6.893
6 C5 C C5 N N N 0 1.506 0.061 -7.985
7 C6 C C6 N N N 0 1.808 -0.837 -9.186
8 C7 C C7 S N N 0 -1.639 -1.054 0.018
9 C8 C C8 N N N 0 -0.963 -0.244 -1.057
10 C9 C C9 N N N 0 -3.171 -0.981 -0.154
11 C10 C C10 N N N 0 -3.685 -0.908 1.307
12 C11 C C11 N N N 0 -2.576 -0.065 1.985
13 C12 C C12 N N N 0 -0.091 -0.412 1.884
14 C13 C C13 N N N 0 -0.011 -0.926 4.309
15 C14 C C14 R N N 0 0.087 0.181 3.257
16 C15 C C15 N N N 0 2.52 0.094 3.156
17 C16 C C16 N N N 0 3.872 0.754 3.246
18 C17 C C17 N Y N 0 1.595 0.305 7.495
19 C18 C C18 N Y N 0 0.496 0.756 8.202
20 C19 C C19 N Y N 0 -0.767 0.662 7.649
21 C20 C C20 N Y N 0 -0.931 0.117 6.389
22 C21 C C21 N Y N 0 0.167 -0.332 5.682
23 C22 C C22 N Y N 0 1.43 -0.243 6.237
24 N N N N N N 0 -1.129 -0.573 -2.353
25 N1 N N1 N N N 0 2.468 -0.047 -10.234
26 N2 N N2 N N N 0 -1.323 -0.504 1.345
27 N3 N N3 N N N 0 1.401 0.822 3.345
28 O O O N N N 0 -2.698 1.094 -4.388
29 O1 O O1 N N N 0 -0.994 2.732 -3.708
30 O2 O O2 N N N 0 -0.268 0.703 -0.756
31 O3 O O3 N N N 0 0.872 -0.807 1.264
32 O4 O O4 N N N 0 2.438 -1.091 2.915
33 H H H N N N 0 0.458 0.627 -3.011
34 H21 H 1H2 N N N 0 0.487 -1.497 -4.289
35 H22A H 2H2 N N N 0 -1.1 -1.098 -4.987
36 H31 H 1H3 N N N 0 -0.139 0.95 -6.002
37 H32 H 2H3 N N N 0 1.448 0.551 -5.304
38 H41 H 1H4 N N N 0 1.476 -1.573 -6.582
39 H42 H 2H4 N N N 0 -0.111 -1.174 -7.28
40 H51 H 1H5 N N N 0 0.849 0.873 -8.295
41 H52 H 2H5 N N N 0 2.437 0.475 -7.597
42 H61 H 1H6 N N N 0 2.465 -1.649 -8.875
43 H62 H 2H6 N N N 0 0.877 -1.25 -9.574
44 H7 H H7 N N N 0 -1.309 -2.091 -0.035
45 H91 H 1H9 N N N 0 -3.548 -1.874 -0.651
46 H92 H 2H9 N N N 0 -3.451 -0.084 -0.706
47 H101 H 1H10 N N N 0 -3.745 -1.902 1.75
48 H102 H 2H10 N N N 0 -4.648 -0.401 1.358
49 H111 H 1H11 N N N 0 -2.547 -0.267 3.056
50 H112 H 2H11 N N N 0 -2.743 0.996 1.804
51 H131 H 1H13 N N N 0 -0.989 -1.403 4.243
52 H132 H 2H13 N N N 0 0.767 -1.667 4.129
53 H14 H H14 N N N 0 -0.691 0.922 3.437
54 H161 H 1H16 N N N 0 4.65 0.012 3.067
55 H162 H 2H16 N N N 0 3.942 1.543 2.498
56 H163 H 3H16 N N N 0 4.001 1.183 4.24
57 H17 H H17 N N N 0 2.582 0.379 7.927
58 H18 H H18 N N N 0 0.624 1.182 9.186
59 H19 H H19 N N N 0 -1.626 1.014 8.201
60 H20 H H20 N N N 0 -1.918 0.043 5.957
61 H22 H H22 N N N 0 2.289 -0.595 5.685
62 HN H HN N N N 0 -1.685 -1.331 -2.593
63 HN11 H 1HN1 N N N 0 2.647 -0.677 -11.002
64 HN12 H 2HN1 N N N 0 1.789 0.623 -10.562
65 HN3 H HN3 N N N 0 1.466 1.77 3.538
66 HO H HO N N N 0 -3.112 1.943 -4.596
67 HO1 H HO1 N N N 0 -0.107 2.708 -3.324