Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DQB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C11 N Y N 0 0.002 1.04 0.151
2 C12 C C12 N Y N 0 -0.499 2.299 -0.167
3 C13 C C13 N Y N 0 -1.856 2.485 -0.308
4 C14 C C14 N Y N 0 -2.729 1.409 -0.132
5 C15 C C15 N Y N 0 -2.222 0.145 0.186
6 C16 C C16 N Y N 0 -0.865 -0.036 0.32
7 C C C N N N 0 -4.184 1.605 -0.283
8 O O O N N N 0 -4.624 2.704 -0.559
9 N N N N N N 0 -5.025 0.566 -0.113
10 CA C CA N N N 0 -6.469 0.761 -0.262
11 CB C CB N N N 0 -7.191 -0.567 -0.02
12 CG C CG N N N 0 -8.699 -0.363 -0.176
13 CD C CD N N N 0 -9.41 -1.67 0.063
14 OE1 O OE1 N N N 0 -8.775 -2.663 0.33
15 OE2 O OE2 N N N 0 -10.748 -1.732 -0.022
16 N10 N N10 N N N 0 1.373 0.855 0.293
17 N1 N N1 N Y N 0 7.517 -0.204 1.007
18 C2 C C2 N Y N 0 8.267 -0.417 -0.045
19 N3 N N3 N Y N 0 7.758 -0.705 -1.278
20 C4 C C4 N Y N 0 6.421 -0.795 -1.465
21 C5 C C5 N Y N 0 4.165 -0.626 -0.393
22 C6 C C6 N Y N 0 3.405 -0.4 0.722
23 C7 C C7 N Y N 0 4.004 -0.107 1.94
24 C8 C C8 N Y N 0 5.363 -0.037 2.057
25 C4A C C4A N Y N 0 5.554 -0.561 -0.302
26 C8A C C8A N Y N 0 6.166 -0.263 0.936
27 OA4 O OA4 N N N 0 5.953 -1.056 -2.558
28 NA2 N NA2 N N N 0 9.63 -0.341 0.097
29 C9 C C9 N N N 0 1.903 -0.469 0.626
30 H12 H H12 N N N 0 0.176 3.131 -0.302
31 H13 H H13 N N N 0 -2.244 3.463 -0.554
32 H15 H H15 N N N 0 -2.895 -0.688 0.323
33 H16 H H16 N N N 0 -0.472 -1.011 0.566
34 HN H HN N N N 0 -4.674 -0.311 0.108
35 HA1 H 1HA N N N 0 -6.813 1.499 0.462
36 HA2 H 2HA N N N 0 -6.686 1.113 -1.271
37 HB1 H 1HB N N N 0 -6.847 -1.305 -0.745
38 HB2 H 2HB N N N 0 -6.974 -0.919 0.988
39 HG1 H 1HG N N N 0 -9.043 0.375 0.549
40 HG2 H 2HG N N N 0 -8.916 -0.011 -1.184
41 HE2 H HE2 N N N 0 -11.204 -2.571 0.132
42 H10 H H10 N N N 0 1.979 1.603 0.171
43 HN3 H HN3 N N N 0 8.359 -0.853 -2.024
44 H5 H H5 N N N 0 3.691 -0.853 -1.337
45 H7 H H7 N N N 0 3.385 0.068 2.808
46 H8 H H8 N N N 0 5.815 0.192 3.012
47 HA21 H 1HA2 N N N 0 10.016 -0.133 0.963
48 HA22 H 2HA2 N N N 0 10.207 -0.498 -0.666
49 H91 H 1H9 N N N 0 1.62 -1.18 -0.15
50 H92 H 2H9 N N N 0 1.493 -0.794 1.583