Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XYQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O5 O O5 N N N 0 -7.889 1.042 -3.134
2 CH C CH N N N 0 -8.361 1.931 -2.464
3 CH3 C CH3 N N N 0 -8.775 3.226 -3.115
4 OH O OH N N N 0 -8.516 1.764 -1.142
5 C1N C C1N R N N 0 -8.118 0.517 -0.515
6 C2N C C2N R N N 0 -8.619 0.48 0.945
7 C3N C C3N S N N 0 -7.425 -0.186 1.685
8 O3N O O3N N N N 0 -7.363 0.237 3.049
9 O2N O O2N N N N 0 -8.852 1.8 1.439
10 O4N O O4N N N N 0 -6.689 0.422 -0.486
11 C4N C C4N R N N 0 -6.228 0.37 0.873
12 C5N C C5N N N N 0 -5.024 -0.568 0.99
13 O5N O O5N N N N 0 -3.917 -0.012 0.277
14 PN P PN R N N 0 -2.693 -1.045 0.442
15 ON2 O ON2 N N N 0 -3.059 -2.432 -0.289
16 ON1 O ON1 N N N 0 -2.447 -1.294 1.88
17 ON3 O ON3 N N N 0 -1.369 -0.419 -0.228
18 PA P PA R N N 0 -0.122 -1.286 0.307
19 OA2 O OA2 N N N 0 0.193 -0.887 1.834
20 O5A O O5A N N N 0 1.17 -0.986 -0.605
21 C5A C C5A N N N 0 2.204 -1.866 -0.159
22 C4A C C4A R N N 0 3.468 -1.631 -0.988
23 O4A O O4A N N N 0 3.994 -0.321 -0.716
24 C1A C C1A R N N 0 5.432 -0.419 -0.801
25 N9 N N9 N Y N 0 6.068 0.68 -0.07
26 C8 C C8 N Y N 0 5.516 1.397 0.949
27 N7 N N7 N Y N 0 6.359 2.296 1.368
28 C5 C C5 N Y N 0 7.502 2.214 0.645
29 C4 C C4 N Y N 0 7.331 1.172 -0.283
30 N3 N N3 N Y N 0 8.319 0.89 -1.125
31 C2 C C2 N Y N 0 9.448 1.567 -1.088
32 N1 N N1 N Y N 0 9.656 2.55 -0.231
33 C6 C C6 N Y N 0 8.724 2.908 0.646
34 N6 N N6 N N N 0 8.952 3.939 1.541
35 C2A C C2A R N N 0 5.743 -1.78 -0.127
36 C3A C C3A S N N 0 4.551 -2.654 -0.595
37 O3A O O3A N N N 0 4.927 -3.451 -1.72
38 O2A O O2A N N N 0 6.982 -2.312 -0.6
39 OA1 O OA1 N N N 0 -0.455 -2.726 0.231
40 HH31 H 1HH3 N N N 0 -8.574 3.175 -4.185
41 HH32 H 2HH3 N N N 0 -9.84 3.39 -2.952
42 HH33 H 3HH3 N N N 0 -8.21 4.049 -2.678
43 H1N H H1N N N N 0 -8.532 -0.325 -1.07
44 H2N H H2N N N N 0 -9.518 -0.13 1.033
45 H3N H H3N N N N 0 -7.477 -1.272 1.615
46 HO3N H HO3N N N N 0 -8.133 -0.142 3.494
47 HO2N H HO2N N N N 0 -9.601 2.157 0.942
48 H4N H H4N N N N 0 -5.964 1.368 1.222
49 H5N1 H 1H5N N N N 0 -4.757 -0.688 2.04
50 H5N2 H 2H5N N N N 0 -5.278 -1.54 0.566
51 HON2 H HON2 N N N 0 -3.211 -2.226 -1.221
52 HOA2 H HOA2 N N N 0 0.404 0.056 1.839
53 H5A1 H 1H5A N N N 0 2.418 -1.672 0.893
54 H5A2 H 2H5A N N N 0 1.878 -2.899 -0.279
55 H4A H H4A N N N 0 3.237 -1.724 -2.049
56 H1A H H1A N N N 0 5.755 -0.424 -1.842
57 H8 H H8 N N N 0 4.526 1.241 1.351
58 H2 H H2 N N N 0 10.232 1.309 -1.784
59 HN61 H 1HN6 N N N 0 8.263 4.19 2.176
60 HN62 H 2HN6 N N N 0 9.799 4.41 1.532
61 H2A H H2A N N N 0 5.753 -1.682 0.959
62 HO2A H HO2A N N N 0 7.116 -3.154 -0.144
63 H3A H H3A N N N 0 4.199 -3.288 0.219
64 HO3A H HO3A N N N 0 5.646 -4.027 -1.427