Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DT8

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O34 O O34 N N N 0 -0.081 0.238 1.767
2 C21 C C21 N N N 0 -0.679 -0.278 0.819
3 N35 N N35 N N N 0 -0.935 0.369 -0.391
4 C37 C C37 N N N 0 -0.51 1.739 -0.648
5 C36 C C36 N N N 0 -1.647 -0.281 -1.489
6 C17 C C17 N N N 0 -1.174 -1.688 0.945
7 C18 C C18 N N N 0 -0.111 -2.659 0.428
8 C19 C C19 N N N 0 -0.522 -4.116 0.626
9 C13 C C13 N N N 0 -0.884 -4.406 2.087
10 N12 N N12 N N N 0 -1.276 -5.786 2.256
11 C11 C C11 N N N 0 -0.356 -6.793 2.495
12 O14 O O14 N N N 0 0.858 -6.63 2.587
13 C8 C C8 N N N 0 -0.915 -8.164 2.62
14 N7 N N7 N N N 0 -0.133 -9.225 2.851
15 C5 C C5 N N N 0 -0.933 -10.343 2.915
16 C4 C C4 N N N 0 -0.598 -11.683 3.134
17 C3 C C3 N N N 0 -1.638 -12.617 3.147
18 C2 C C2 N N N 0 -2.959 -12.222 2.947
19 CL1 CL CL1 N N N 0 -4.215 -13.402 2.969
20 C9 C C9 N N N 0 -2.208 -8.509 2.524
21 C6 C C6 N N N 0 -2.248 -9.919 2.711
22 C1 C C1 N N N 0 -3.28 -10.878 2.728
23 C16 C C16 N N N 0 -1.54 -1.981 2.405
24 C15 C C15 N N N 0 -1.954 -3.44 2.625
25 N20 N N20 N N N 0 -3.257 -3.687 2.046
26 C22 C C22 N N N 0 -4.435 -3.461 2.74
27 O32 O O32 N N N 0 -4.501 -3.039 3.892
28 C23 C C23 N N N 0 -5.655 -3.78 2.034
29 S27 S S27 N N N 0 -7.182 -3.543 2.795
30 C26 C C26 N N N 0 -7.933 -4.113 1.382
31 C28 C C28 N N N 0 -9.405 -4.268 1.19
32 N29 N N29 N N N 0 -9.726 -4.404 -0.252
33 C33 C C33 N N N 0 -11.136 -4.748 -0.427
34 C30 C C30 N N N 0 -8.857 -5.402 -0.915
35 C31 C C31 N N N 0 -7.374 -4.964 -0.903
36 C25 C C25 N N N 0 -6.987 -4.451 0.438
37 N24 N N24 N N N 0 -5.675 -4.257 0.807
38 H371 H 1H37 N N N 0 -0.608 2.339 0.26
39 H372 H 2H37 N N N 0 -1.126 2.185 -1.433
40 H373 H 3H37 N N N 0 0.535 1.757 -0.97
41 H361 H 1H36 N N N 0 -2.694 0.033 -1.495
42 H362 H 2H36 N N N 0 -1.606 -1.367 -1.376
43 H363 H 3H36 N N N 0 -1.193 -0.01 -2.446
44 H17 H H17 N N N 0 -2.071 -1.763 0.319
45 H181 H 1H18 N N N 0 0.842 -2.478 0.942
46 H182 H 2H18 N N N 0 0.078 -2.474 -0.637
47 H191 H 1H19 N N N 0 -1.373 -4.348 -0.027
48 H192 H 2H19 N N N 0 0.298 -4.771 0.307
49 H13 H H13 N N N 0 0.023 -4.285 2.693
50 HN12 H HN12 N N N 0 -2.258 -6.005 2.13
51 HN7 H HN7 N N N 0 0.872 -9.229 2.963
52 H4 H H4 N N N 0 0.431 -11.991 3.29
53 H3 H H3 N N N 0 -1.395 -13.663 3.317
54 H9 H H9 N N N 0 -3.053 -7.858 2.341
55 H1 H H1 N N N 0 -4.311 -10.568 2.572
56 H161 H 1H16 N N N 0 -0.679 -1.755 3.048
57 H162 H 2H16 N N N 0 -2.345 -1.305 2.725
58 H15 H H15 N N N 0 -2.087 -3.612 3.7
59 H281 H 1H28 N N N 0 -9.744 -5.154 1.743
60 HN20 H HN20 N N N 0 -3.28 -4.098 1.118
61 H282 H 2H28 N N N 0 -9.931 -3.393 1.591
62 H331 H 1H33 N N N 0 -11.694 -4.523 0.486
63 H332 H 2H33 N N N 0 -11.241 -5.813 -0.65
64 H333 H 3H33 N N N 0 -11.566 -4.173 -1.252
65 H301 H 1H30 N N N 0 -9.165 -5.533 -1.96
66 H302 H 2H30 N N N 0 -8.961 -6.378 -0.422
67 H312 H 2H31 N N N 0 -6.737 -5.808 -1.187
68 H311 H 1H31 N N N 0 -7.221 -4.167 -1.641