Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DXT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


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 6.393 -4.07 4.542
2 O1 O O1 N N N 0 5.386 -4.66 4.935
3 C2 C C2 N N N 0 7.257 -3.356 5.534
4 O21 O O21 N N N 0 7.413 -4.295 7.689
5 C21 C C21 N N N 0 6.955 -3.411 6.973
6 N21 N N21 N N N 0 6.134 -2.395 7.393
7 C3 C C3 N N N 0 8.332 -2.662 5.119
8 O3 O O3 N N N 0 9.153 -2.008 6.025
9 C4 C C4 R N N 0 8.727 -2.492 3.668
10 N4 N N4 N N N 0 9.913 -3.313 3.382
11 C41 C C41 N N N 0 11.026 -2.9 4.232
12 C42 C C42 N N N 0 10.27 -3.204 1.971
13 C4A C C4A S N N 0 7.556 -2.799 2.688
14 C5 C C5 S N N 0 6.564 -1.611 2.602
15 O5 O O5 N N N 0 7.306 -0.512 2.054
16 C5A C C5A R N N 0 5.327 -1.881 1.702
17 C6 C C6 R N N 0 4.029 -1.152 2.188
18 C61 C C61 N N N 0 4.259 0.341 2.478
19 C6A C C6A N Y N 0 2.89 -1.4 1.193
20 C7 C C7 N Y N 0 1.837 -0.484 1.018
21 C8 C C8 N Y N 0 0.796 -0.729 0.118
22 C9 C C9 N Y N 0 0.777 -1.904 -0.621
23 C10 C C10 N Y N 0 1.792 -2.841 -0.453
24 O10 O O10 N N N 0 1.705 -3.978 -1.202
25 C6B C C6B N Y N 0 2.838 -2.597 0.452
26 C11 C C11 N N N 0 3.866 -3.65 0.621
27 O11 O O11 N N N 0 3.788 -4.707 0.007
28 C5B C C5B N N N 0 4.993 -3.348 1.55
29 C12 C C12 N N N 0 5.641 -4.348 2.179
30 O12 O O12 N N N 0 5.298 -5.685 2.073
31 C4B C C4B S N N 0 6.83 -4.098 3.073
32 O13 O O13 N N N 0 7.747 -5.187 2.968
33 H10 H H10 N N N 0 1.704 -4.757 -0.625
34 H12 H H12 N N N 0 4.86 -5.839 1.232
35 H13 H H13 N N N 0 7.505 -5.817 3.663
36 H211 H 1H21 N N N 0 5.873 -2.355 8.373
37 H212 H 2H21 N N N 0 5.775 -1.682 6.765
38 HO3 H HO3 N N N 0 8.615 -1.498 6.634
39 H4 H H4 N N N 0 9.042 -1.452 3.526
40 H411 H 1H41 N N N 0 10.73 -2.938 5.283
41 H412 H 2H41 N N N 0 11.329 -1.879 3.988
42 H413 H 3H41 N N N 0 11.881 -3.565 4.083
43 H421 H 1H42 N N N 0 10.951 -4.013 1.693
44 H422 H 2H42 N N N 0 10.763 -2.247 1.779
45 H423 H 3H42 N N N 0 9.374 -3.268 1.349
46 H4A H H4A N N N 0 8.009 -2.92 1.691
47 H5 H H5 N N N 0 6.241 -1.311 3.605
48 HO5 H HO5 N N N 0 7.864 -0.885 1.355
49 H5A H H5A N N N 0 5.569 -1.499 0.698
50 H6 H H6 N N N 0 3.71 -1.604 3.138
51 H7 H H7 N N N 0 1.811 0.442 1.588
52 H8 H H8 N N N 0 0.001 0.001 -0.001
53 H9 H H9 N N N 0 -0.029 -2.099 -1.322
54 H611 H 1H61 N N N 0 5.144 0.479 3.107
55 H612 H 2H61 N N N 0 4.41 0.895 1.547
56 H613 H 3H61 N N N 0 3.397 0.769 2.998