Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1ANR

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 N1 N N1 N Y N 0 -0.249 -2.859 0.738
2 N3 N N2 N Y N 0 -4.029 -1.395 0.604
3 C4 C C1 N Y N 0 -0.515 -1.703 0.139
4 C5 C C2 N Y N 0 -1.206 -3.568 1.309
5 C6 C C3 N Y N 0 -2.834 -2.04 0.749
6 C7 C C4 N Y N 0 -3.821 -0.217 -0.093
7 C8 C C5 N N N 0 -4.86 0.757 -0.449
8 C10 C C6 N N N 0 -8.59 0.915 -0.548
9 C13 C C7 N Y N 0 -2.499 -0.108 -0.393
10 C15 C C8 N Y N 0 2.819 -0.294 -0.558
11 C17 C C9 N Y N 0 3.416 1.798 -1.545
12 C20 C C10 N Y N 0 3.981 -0.26 0.184
13 C21 C C11 N N N 0 7.34 2.113 0.378
14 C22 C C12 N N N 0 6.422 3.318 0.124
15 O2 O O1 N N N 0 6.893 -0.479 0.854
16 S S S1 N N N 0 6.307 0.795 1.085
17 O1 O O2 N N N 0 5.835 1.166 2.373
18 C23 C C13 N N N 0 5.503 3.005 -1.044
19 C18 C C14 N Y N 0 4.596 1.834 -0.804
20 C16 C C15 N Y N 0 2.535 0.746 -1.424
21 C19 C C16 N Y N 0 4.863 0.805 0.069
22 C3 C C17 S N N 0 1.869 -1.457 -0.431
23 C1 C C18 N N N 0 2.087 -2.423 -1.598
24 C2 C C19 N N N 0 3.529 -2.936 -1.573
25 C C C20 N N N 0 1.123 -3.605 -1.469
26 N N N3 N N N 0 0.489 -0.967 -0.455
27 C14 C C21 N Y N 0 -1.849 -1.247 0.126
28 N2 N N4 N Y N 0 -2.464 -3.184 1.322
29 O O O3 N N N 0 -4.564 1.764 -1.066
30 N4 N N5 N N N 0 -6.141 0.537 -0.094
31 C9 C C22 N N N 0 -7.178 1.51 -0.45
32 C12 C C23 N N N 0 -7.767 2.267 0.749
33 N5 N N6 N N N 0 -9.091 2.135 0.113
34 C11 C C24 N N N 0 -10.122 1.809 1.108
35 H1 H H1 N N N 0 -4.885 -1.711 0.936
36 H10 H H2 N N N 0 -0.945 -4.502 1.784
37 H13 H H3 N N N 0 -8.943 0.801 -1.573
38 H14 H H4 N N N 0 -8.725 0.012 0.047
39 H20 H H5 N N N 0 -2.032 0.703 -0.932
40 H22 H H6 N N N 0 3.188 2.608 -2.223
41 H23 H H7 N N N 0 4.207 -1.07 0.862
42 H25 H H8 N N N 0 7.78 1.777 -0.561
43 H24 H H9 N N N 0 8.127 2.386 1.08
44 H27 H H10 N N N 0 5.825 3.516 1.014
45 H26 H H11 N N N 0 7.026 4.194 -0.111
46 H28 H H12 N N N 0 4.891 3.883 -1.25
47 H29 H H13 N N N 0 6.115 2.795 -1.921
48 H21 H H14 N N N 0 1.625 0.733 -2.005
49 H H H15 N N N 0 2.054 -1.976 0.509
50 H5 H H16 N N N 0 1.903 -1.905 -2.538
51 H6 H H17 N N N 0 3.714 -3.455 -0.632
52 H7 H H18 N N N 0 3.684 -3.624 -2.404
53 H8 H H19 N N N 0 4.215 -2.095 -1.664
54 H3 H H20 N N N 0 0.097 -3.239 -1.486
55 H2 H H21 N N N 0 1.279 -4.293 -2.299
56 H4 H H22 N N N 0 1.308 -4.123 -0.528
57 H9 H H23 N N N 0 0.282 -0.124 -0.889
58 H11 H H24 N N N 0 -6.377 -0.265 0.398
59 H12 H H25 N N N 0 -6.901 2.145 -1.291
60 H19 H H26 N N N 0 -7.681 1.725 1.69
61 H18 H H27 N N N 0 -7.421 3.298 0.823
62 H15 H H29 N N N 0 -9.7 1.149 1.865
63 H17 H H30 N N N 0 -10.474 2.726 1.58
64 H16 H H31 N N N 0 -10.957 1.31 0.615