Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1AOB

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 N1 N N1 N Y N 0 -0.068 -3.052 -0.466
2 N3 N N2 N Y N 0 3.713 -1.644 -0.876
3 C4 C C1 N Y N 0 0.243 -1.811 -0.108
4 C5 C C2 N Y N 0 0.843 -3.867 -0.966
5 C6 C C3 N Y N 0 2.51 -2.287 -0.813
6 C7 C C4 N Y N 0 3.559 -0.356 -0.393
7 C8 C C5 N N N 0 4.622 0.652 -0.296
8 C10 C C6 N N N 0 8.112 1.001 -1.536
9 C13 C C7 N N N 0 7.589 1.331 0.805
10 C15 C C8 N Y N 0 1.575 -1.38 -0.275
11 C17 C C9 N Y N 0 -2.68 0.925 1.202
12 C20 C C10 N Y N 0 -5.107 0.751 -0.113
13 C21 C C11 N Y N 0 -4.239 -0.331 -0.093
14 C22 C C12 N N N 0 -7.595 2.023 -0.472
15 C24 C C13 N N N 0 -5.645 3.139 0.598
16 O2 O O1 N N N 0 -7.2 -0.62 -0.467
17 S S S1 N N N 0 -6.63 0.572 -0.989
18 O1 O O2 N N N 0 -6.264 0.676 -2.358
19 C23 C C14 N N N 0 -6.652 3.235 -0.534
20 C19 C C15 N Y N 0 -4.774 1.919 0.535
21 C18 C C16 N Y N 0 -3.543 1.998 1.184
22 C16 C C17 N Y N 0 -3.028 -0.25 0.562
23 C3 C C18 S N N 0 -2.092 -1.431 0.58
24 C1 C C19 N N N 0 -2.225 -2.167 1.915
25 C2 C C20 N N N 0 -1.99 -1.184 3.064
26 C C C21 N N N 0 -3.63 -2.761 2.032
27 N N N3 N N N 0 -0.714 -0.965 0.415
28 N2 N N4 N Y N 0 2.097 -3.511 -1.141
29 C14 C C22 N Y N 0 2.262 -0.175 -0.021
30 O O O3 N N N 0 4.374 1.758 0.145
31 N4 N N5 N N N 0 5.874 0.352 -0.696
32 C9 C C23 R N N 0 6.935 1.357 -0.6
33 N5 N N6 N N N 0 8.938 1.902 0.562
34 C12 C C24 N N N 0 9.868 1.53 1.636
35 C11 C C25 N N N 0 9.382 1.352 -0.737
36 H1 H H1 N N N 0 4.541 -2.027 -1.206
37 H11 H H2 N N N 0 0.546 -4.868 -1.244
38 H13 H H3 N N N 0 8.098 -0.062 -1.776
39 H14 H H4 N N N 0 8.064 1.595 -2.449
40 H20 H H5 N N N 0 7.028 1.952 1.502
41 H21 H H6 N N N 0 7.662 0.308 1.176
42 H23 H H7 N N N 0 -1.73 1.003 1.71
43 H25 H H8 N N N 0 -4.513 -1.245 -0.599
44 H26 H H9 N N N 0 -8.436 2.171 -1.149
45 H27 H H10 N N N 0 -7.958 1.885 0.547
46 H30 H H11 N N N 0 -5.007 4.022 0.572
47 H31 H H12 N N N 0 -6.185 3.131 1.544
48 H29 H H13 N N N 0 -6.127 3.239 -1.49
49 H28 H H14 N N N 0 -7.231 4.153 -0.43
50 H24 H H15 N N N 0 -3.263 2.915 1.682
51 H H H16 N N N 0 -2.347 -2.109 -0.235
52 H6 H H17 N N N 0 -1.487 -2.967 1.964
53 H9 H H18 N N N 0 -2.728 -0.384 3.015
54 H8 H H19 N N N 0 -2.084 -1.708 4.015
55 H7 H H20 N N N 0 -0.989 -0.761 2.981
56 H5 H H21 N N N 0 -3.798 -3.461 1.213
57 H3 H H22 N N N 0 -3.725 -3.285 2.983
58 H4 H H23 N N N 0 -4.369 -1.961 1.983
59 H10 H H24 N N N 0 -0.473 -0.061 0.672
60 H22 H H25 N N N 0 1.837 0.727 0.395
61 H12 H H26 N N N 0 6.072 -0.53 -1.048
62 H2 H H27 N N N 0 6.548 2.35 -0.827
63 H19 H H29 N N N 0 9.952 0.445 1.685
64 H18 H H30 N N N 0 10.849 1.962 1.434
65 H17 H H31 N N N 0 9.495 1.909 2.588
66 H15 H H32 N N N 0 9.978 0.454 -0.576
67 H16 H H33 N N N 0 9.966 2.097 -1.276