Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : A1AOC

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


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 -1.076 -2.813 0.591
2 N3 N N2 N Y N 0 -4.771 -1.148 0.801
3 C4 C C1 N Y N 0 -1.305 -1.586 0.134
4 C5 C C2 N Y N 0 -2.045 -3.531 1.13
5 C6 C C3 N Y N 0 -3.607 -1.87 0.818
6 C7 C C4 N Y N 0 -4.55 0.086 0.233
7 C8 C C5 N Y N 0 -5.576 1.137 0.045
8 C10 C C6 N N N 0 -8.891 2.56 0.267
9 C13 C C7 N Y N 0 -2.606 -1.068 0.237
10 C15 C C8 N Y N 0 1.805 0.869 -1.309
11 C17 C C9 N Y N 0 3.942 1.786 -0.667
12 C20 C C10 N N N 0 6.754 1.789 0.367
13 C21 C C11 N N N 0 5.889 3.058 0.33
14 C22 C C12 N N N 0 4.888 2.942 -0.806
15 O1 O O1 N N N 0 5.325 0.665 2.326
16 S S S1 N N N 0 5.696 0.441 0.973
17 O O O2 N N N 0 6.197 -0.819 0.547
18 C16 C C13 N Y N 0 2.731 1.888 -1.351
19 C18 C C14 N Y N 0 4.196 0.65 0.065
20 C19 C C15 N Y N 0 3.261 -0.375 0.113
21 C14 C C16 N Y N 0 2.069 -0.272 -0.575
22 C3 C C17 S N N 0 1.065 -1.395 -0.526
23 C1 C C18 N N N 0 1.179 -2.236 -1.799
24 C2 C C19 N N N 0 2.59 -2.819 -1.901
25 C C C20 N N N 0 0.159 -3.376 -1.75
26 N N N3 N N N 0 -0.286 -0.837 -0.429
27 N2 N N4 N Y N 0 -3.278 -3.087 1.247
28 C12 C C21 N Y N 0 -3.247 0.19 -0.131
29 C11 C C22 N Y N 0 -6.891 1.055 0.405
30 N5 N N5 N Y N 0 -7.481 2.218 0.062
31 N4 N N6 N Y N 0 -6.514 3.043 -0.525
32 C9 C C23 N Y N 0 -5.373 2.407 -0.534
33 H1 H H1 N N N 0 -5.624 -1.46 1.141
34 H10 H H2 N N N 0 -1.816 -4.523 1.489
35 H13 H H3 N N N 0 -9.011 3.033 1.242
36 H14 H H4 N N N 0 -9.215 3.247 -0.514
37 H12 H H5 N N N 0 -9.494 1.653 0.227
38 H17 H H6 N N N 0 0.872 0.964 -1.844
39 H21 H H7 N N N 0 7.116 1.556 -0.635
40 H20 H H8 N N N 0 7.597 1.932 1.043
41 H22 H H9 N N N 0 5.356 3.164 1.275
42 H23 H H10 N N N 0 6.524 3.928 0.17
43 H24 H H11 N N N 0 5.435 2.832 -1.742
44 H25 H H12 N N N 0 4.307 3.863 -0.853
45 H18 H H13 N N N 0 2.516 2.779 -1.923
46 H19 H H14 N N N 0 3.474 -1.266 0.684
47 H H H15 N N N 0 1.263 -2.022 0.343
48 H5 H H16 N N N 0 0.981 -1.609 -2.668
49 H6 H H17 N N N 0 2.787 -3.446 -1.032
50 H8 H H18 N N N 0 2.671 -3.418 -2.808
51 H7 H H19 N N N 0 3.316 -2.007 -1.936
52 H2 H H20 N N N 0 -0.847 -2.961 -1.677
53 H3 H H21 N N N 0 0.24 -3.975 -2.657
54 H4 H H22 N N N 0 0.356 -4.003 -0.881
55 H9 H H23 N N N 0 -0.467 0.057 -0.759
56 H16 H H24 N N N 0 -2.776 1.04 -0.603
57 H15 H H25 N N N 0 -7.372 0.212 0.879
58 H11 H H26 N N N 0 -4.438 2.786 -0.919