Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Atoms of Molecule

 Molecule : AKU

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 C1 C C13 N Y N 0 -3.896 -0.114 -0.783
2 C10 C C9 N N N 0 -6.069 1.277 -1.593
3 C11 C C5 N N N 0 -1.994 3.657 1.446
4 C12 C C10 N N N 0 -0.454 -3.396 1.528
5 C13 C C11 N N N 0 0.636 -0.573 0.031
6 C14 C C2 N N N 0 1.893 -1.255 0.576
7 C15 C C14 N Y N 0 3.096 -0.786 -0.201
8 C16 C C15 N Y N 0 3.652 -1.4 -1.257
9 C17 C C16 N Y N 0 4.898 0.439 -0.919
10 C18 C C17 N Y N 0 3.881 0.424 0.054
11 C19 C C18 N Y N 0 5.817 1.484 -0.927
12 C2 C C19 N Y N 0 -3.996 1.219 -0.429
13 C20 C C20 N Y N 0 5.721 2.487 0.012
14 C21 C C21 N Y N 0 4.716 2.467 0.97
15 C22 C C22 N Y N 0 3.802 1.452 0.995
16 C3 C C12 N Y N 0 -2.986 1.809 0.324
17 C4 C C1 N Y N 0 -1.895 1.054 0.715
18 C5 C C3 N Y N 0 -1.805 -0.287 0.366
19 C6 C C4 N Y N 0 -2.805 -0.874 -0.378
20 C7 C C6 S N N 0 -0.585 -1.049 0.821
21 C8 C C7 N N N 0 -1.363 -2.888 -0.7
22 C9 C C8 N N N 0 -2.781 -2.326 -0.777
23 H1 H H1 N N N 0 -1.11 1.509 1.3
24 H10 H H10 N N N 0 -3.428 -2.892 -0.108
25 H11 H H11 N N N 0 -3.15 -2.423 -1.798
26 H12 H H12 N N N 0 -5.623 0.895 -2.511
27 H13 H H13 N N N 0 -6.476 0.448 -1.014
28 H14 H H14 N N N 0 -6.87 1.974 -1.841
29 H15 H H15 N N N 0 -0.031 -3.075 2.469
30 H16 H H16 N N N 0 0.736 0.507 0.132
31 H17 H H17 N N N 0 0.511 -0.83 -1.021
32 H18 H H18 N N N 0 5.291 -0.925 -2.453
33 H19 H H19 N N N 0 -4.677 -0.571 -1.372
34 H2 H H2 N N N 0 2.018 -0.998 1.628
35 H20 H H20 N N N 0 3.303 -2.325 -1.692
36 H21 H H21 N N N 0 6.602 1.508 -1.668
37 H22 H H22 N N N 0 6.435 3.297 0.0040
38 H23 H H23 N N N 0 4.655 3.261 1.699
39 H24 H H24 N N N 0 3.023 1.443 1.743
40 H3 H H3 N N N 0 1.793 -2.335 0.475
41 H4 H H4 N N N 0 -2.186 4.709 1.655
42 H5 H H5 N N N 0 -1.913 3.109 2.385
43 H6 H H6 N N N 0 -1.063 3.562 0.888
44 H7 H H7 N N N 0 -0.421 -0.87 1.883
45 H8 H H8 N N N 0 -1.393 -3.976 -0.766
46 H9 H H9 N N N 0 -0.761 -2.486 -1.515
47 N1 N N1 N N N 0 -0.785 -2.484 0.592
48 N2 N N2 N Y N 0 4.728 -0.681 -1.701
49 O1 O O1 N N N 0 -5.072 1.951 -0.823
50 O2 O O2 N N N 0 -3.07 3.121 0.673
51 O3 O O3 N N N 0 -0.63 -4.576 1.313