Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : A1IE5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 5.5 0.738 0.957
2 C2 C C2 N Y N 0 4.276 1.375 0.812
3 C3 C C3 N Y N 0 3.222 0.658 0.243
4 C7 C C4 N N N 0 4.571 -2.908 -1.902
5 C8 C C5 N N N 0 1.891 1.289 0.063
6 C9 C C6 N Y N 0 -0.397 1.147 -0.57
7 C10 C C7 N Y N 0 -0.547 2.508 -0.798
8 C11 C C8 N Y N 0 -1.811 3.058 -0.878
9 C12 C C9 N Y N 0 -2.927 2.255 -0.731
10 C13 C C10 N Y N 0 -2.781 0.899 -0.504
11 C14 C C11 N Y N 0 -1.52 0.341 -0.429
12 C15 C C12 S N N 0 -4.0 0.027 -0.344
13 C16 C C13 N N N 0 -5.147 0.846 0.262
14 C19 C C14 N N N 0 -4.423 -0.525 -1.707
15 O1 O O1 N N N 0 -4.529 -2.863 1.531
16 C18 C C15 N N N 0 -4.743 -1.773 1.037
17 N3 N N1 N N N 0 -6.003 -1.33 0.993
18 C17 C C16 N N N 0 -6.377 -0.058 0.379
19 O2 O O2 N N N 0 -3.702 -1.072 0.561
20 N2 N N2 N N N 0 0.882 0.587 -0.489
21 O O O3 N N N 0 1.711 2.438 0.413
22 N N N3 N Y N 0 3.432 -0.6 -0.137
23 C4 C C17 N Y N 0 4.611 -1.163 0.02
24 C5 C C18 N N N 0 4.805 -2.59 -0.424
25 C6 C C19 N N N 0 3.562 -3.373 -0.85
26 N1 N N4 N Y N 0 5.627 -0.514 0.555
27 C C C20 N N N 0 6.673 1.468 1.561
28 H1 H H1 N N N 0 4.141 2.397 1.132
29 H2 H H2 N N N 0 4.277 -2.085 -2.553
30 H3 H H3 N N N 0 5.207 -3.666 -2.36
31 H4 H H4 N N N 0 0.324 3.137 -0.912
32 H5 H H5 N N N 0 -1.929 4.117 -1.056
33 H6 H H6 N N N 0 -3.915 2.688 -0.794
34 H7 H H7 N N N 0 -1.407 -0.718 -0.251
35 H8 H H8 N N N 0 -4.86 1.205 1.251
36 H9 H H9 N N N 0 -5.375 1.694 -0.384
37 H10 H H10 N N N 0 -3.609 -1.116 -2.128
38 H11 H H11 N N N 0 -5.304 -1.155 -1.586
39 H12 H H12 N N N 0 -4.656 0.302 -2.377
40 H13 H H13 N N N 0 -6.701 -1.877 1.387
41 H14 H H14 N N N 0 -7.131 0.433 0.994
42 H15 H H15 N N N 0 -6.786 -0.243 -0.614
43 H16 H H16 N N N 0 1.042 -0.307 -0.83
44 H17 H H17 N N N 0 5.594 -3.139 0.09
45 H18 H H18 N N N 0 2.603 -2.856 -0.81
46 H19 H H19 N N N 0 3.533 -4.437 -0.617
47 H20 H H20 N N N 0 7.232 1.972 0.772
48 H21 H H21 N N N 0 6.312 2.205 2.278
49 H22 H H22 N N N 0 7.323 0.755 2.068