Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1AK6

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


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 -0.698 -2.752 0.674
2 N3 N N2 N Y N 0 -4.353 -1.016 0.994
3 C4 C C1 N Y N 0 -0.915 -1.519 0.226
4 C5 C C2 N Y N 0 -1.666 -3.452 1.238
5 C6 C C3 N Y N 0 -3.204 -1.759 0.975
6 C7 C C4 N Y N 0 -4.124 0.217 0.42
7 C8 C C5 N Y N 0 -5.131 1.285 0.265
8 C10 C C6 N N N 0 -8.429 2.67 -0.436
9 C13 C C7 N Y N 0 -2.828 0.295 0.02
10 C15 C C8 N Y N 0 2.463 -0.273 -0.577
11 C17 C C9 N Y N 0 3.149 1.871 -1.375
12 C20 C C10 N Y N 0 3.674 -0.405 0.071
13 C21 C C11 N N N 0 7.212 1.692 0.255
14 C22 C C12 N N N 0 6.374 2.979 0.206
15 O1 O O1 N N N 0 5.782 0.631 2.248
16 S S S1 N N N 0 6.132 0.377 0.894
17 O O O2 N N N 0 6.6 -0.9 0.481
18 C23 C C13 N N N 0 5.354 2.865 -0.913
19 C18 C C14 N Y N 0 4.378 1.741 -0.73
20 C16 C C15 N Y N 0 2.2 0.875 -1.3
21 C19 C C16 N Y N 0 4.625 0.603 0.002
22 C3 C C17 S N N 0 1.437 -1.375 -0.502
23 C1 C C18 N N N 0 1.496 -2.215 -1.779
24 C2 C C19 N N N 0 2.892 -2.826 -1.924
25 C C C20 N N N 0 0.455 -3.334 -1.703
26 N N N3 N N N 0 0.101 -0.79 -0.364
27 C14 C C21 N Y N 0 -2.204 -0.975 0.367
28 N2 N N4 N Y N 0 -2.887 -2.984 1.391
29 C11 C C22 N Y N 0 -6.471 1.116 -0.087
30 C12 C C23 N N N 0 -7.13 -0.124 -0.366
31 N6 N N5 N N N 0 -7.653 -1.108 -0.587
32 N5 N N6 N Y N 0 -7.033 2.362 -0.114
33 N4 N N7 N Y N 0 -6.042 3.292 0.221
34 C9 C C24 N Y N 0 -4.921 2.663 0.451
35 H1 H H1 N N N 0 -5.202 -1.312 1.357
36 H10 H H2 N N N 0 -1.447 -4.45 1.588
37 H13 H H3 N N N 0 -9.025 2.655 0.476
38 H14 H H4 N N N 0 -8.487 3.659 -0.892
39 H12 H H5 N N N 0 -8.813 1.926 -1.134
40 H15 H H6 N N N 0 -2.353 1.136 -0.463
41 H17 H H7 N N N 0 2.937 2.766 -1.941
42 H18 H H8 N N N 0 3.883 -1.3 0.637
43 H20 H H9 N N N 0 7.557 1.435 -0.747
44 H19 H H10 N N N 0 8.065 1.828 0.918
45 H21 H H11 N N N 0 5.859 3.115 1.156
46 H22 H H12 N N N 0 7.027 3.832 0.02
47 H23 H H13 N N N 0 4.799 3.801 -0.974
48 H24 H H14 N N N 0 5.884 2.714 -1.854
49 H16 H H15 N N N 0 1.253 0.992 -1.806
50 H H H16 N N N 0 1.647 -2.009 0.36
51 H5 H H17 N N N 0 1.286 -1.581 -2.641
52 H6 H H18 N N N 0 3.102 -3.46 -1.062
53 H8 H H19 N N N 0 2.934 -3.424 -2.834
54 H7 H H20 N N N 0 3.633 -2.029 -1.978
55 H2 H H21 N N N 0 -0.539 -2.898 -1.6
56 H3 H H22 N N N 0 0.498 -3.932 -2.613
57 H4 H H23 N N N 0 0.665 -3.967 -0.842
58 H9 H H24 N N N 0 -0.071 0.108 -0.686
59 H11 H H25 N N N 0 -3.987 3.125 0.735