Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1AK1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 51


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -0.091 -0.602 -0.268
2 N3 N N2 N Y N 0 -3.398 -2.509 1.224
3 C4 C C1 N Y N 0 -2.463 -0.581 0.239
4 C5 C C2 N Y N 0 -1.213 -1.232 0.232
5 C6 C C3 S N N 0 1.199 -1.297 -0.272
6 C7 C C4 N Y N 0 2.315 -0.285 -0.263
7 C8 C C5 N Y N 0 2.211 0.864 -1.024
8 C10 C C6 N Y N 0 4.366 1.577 -0.252
9 C13 C C7 N N N 0 6.739 0.961 0.978
10 C15 C C8 N N N 0 1.306 -2.164 -1.528
11 C17 C C9 N N N 0 2.653 -2.891 -1.532
12 O O O1 N N N 0 -4.661 2.904 -0.699
13 C1 C C10 N N N 0 -5.123 1.899 -0.191
14 N N N3 N N N 0 -6.435 1.841 0.116
15 C C C11 N N N 0 -7.303 2.988 -0.162
16 C2 C C12 N Y N 0 -4.253 0.75 0.087
17 N4 N N4 N Y N 0 -4.656 -0.445 0.659
18 C19 C C13 N Y N 0 -3.575 -1.273 0.761
19 C3 C C14 N Y N 0 -2.919 0.687 -0.176
20 C18 C C15 N Y N 0 -2.211 -3.075 1.196
21 N2 N N5 N Y N 0 -1.141 -2.467 0.718
22 C16 C C16 N N N 0 0.173 -3.192 -1.536
23 C12 C C17 N Y N 0 3.439 -0.504 0.511
24 C11 C C18 N Y N 0 4.468 0.425 0.52
25 O1 O O2 N N N 0 5.569 0.196 1.287
26 C14 C C19 N N N 0 6.321 2.427 0.803
27 O2 O O3 N N N 0 5.367 2.5 -0.261
28 C9 C C20 N Y N 0 3.233 1.794 -1.02
29 H7 H H1 N N N 0 -0.157 0.3 -0.62
30 H H H2 N N N 0 1.274 -1.929 0.613
31 H8 H H3 N N N 0 1.329 1.035 -1.624
32 H12 H H4 N N N 0 7.458 0.879 1.794
33 H11 H H5 N N N 0 7.186 0.592 0.055
34 H15 H H6 N N N 0 1.231 -1.533 -2.413
35 H20 H H7 N N N 0 2.728 -3.522 -0.646
36 H21 H H8 N N N 0 2.73 -3.509 -2.426
37 H19 H H9 N N N 0 3.461 -2.158 -1.526
38 H5 H H10 N N N 0 -6.803 1.04 0.521
39 H3 H H11 N N N 0 -8.321 2.757 0.153
40 H4 H H12 N N N 0 -6.942 3.858 0.387
41 H2 H H13 N N N 0 -7.292 3.201 -1.23
42 H1 H H14 N N N 0 -5.559 -0.658 0.942
43 H6 H H15 N N N 0 -2.319 1.466 -0.623
44 H22 H H16 N N N 0 -2.106 -4.079 1.581
45 H17 H H17 N N N 0 -0.787 -2.675 -1.533
46 H16 H H18 N N N 0 0.25 -3.81 -2.431
47 H18 H H19 N N N 0 0.248 -3.823 -0.651
48 H10 H H20 N N N 0 3.516 -1.4 1.108
49 H14 H H21 N N N 0 5.868 2.793 1.724
50 H13 H H22 N N N 0 7.194 3.031 0.558
51 H9 H H23 N N N 0 3.149 2.691 -1.616