Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : 91A

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 46


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N N N 0 3.745 0.694 -0.679
2 C5 C C2 R N N 0 3.247 0.371 0.731
3 C7 C C3 N N N 0 4.08 -0.771 1.318
4 C10 C C4 N N N 0 0.85 0.746 1.406
5 C13 C C5 N Y N 0 -2.162 -0.762 -0.284
6 C17 C C6 N N N 0 1.499 -1.113 -0.065
7 C20 C C7 N Y N 0 -4.302 0.327 -0.992
8 C21 C C8 N Y N 0 -5.387 1.126 -0.678
9 C22 C C9 N Y N 0 -5.487 1.664 0.592
10 C24 C C10 N Y N 0 -3.521 0.662 1.256
11 C1 C C11 N N N 0 3.348 3.142 -0.373
12 C2 C C12 N N N 0 2.997 1.915 -1.217
13 C3 C C13 N N N 0 3.405 2.163 -2.671
14 N8 N N1 N N N 0 3.526 -1.161 2.621
15 N9 N N2 N N N 0 1.839 -0.032 0.671
16 C11 C C14 N N N 0 -0.433 0.965 0.607
17 C12 C C15 N Y N 0 -0.871 -0.362 0.01
18 C14 C C16 N Y N 0 -2.265 -1.993 -0.851
19 S15 S S1 N Y N 0 -0.726 -2.707 -1.034
20 C16 C C17 N Y N 0 0.064 -1.324 -0.312
21 O18 O O1 N N N 0 2.339 -1.876 -0.503
22 C19 C C18 N Y N 0 -3.345 0.089 -0.001
23 N23 N N3 N Y N 0 -4.565 1.426 1.505
24 H1 H H1 N N N 0 4.814 0.908 -0.646
25 H2 H H2 N N N 0 3.566 -0.16 -1.332
26 H3 H H3 N N N 0 3.345 1.254 1.363
27 H4 H H4 N N N 0 4.053 -1.625 0.641
28 H5 H H5 N N N 0 5.11 -0.44 1.446
29 H6 H H6 N N N 0 0.604 0.221 2.33
30 H7 H H7 N N N 0 1.28 1.715 1.656
31 H8 H H8 N N N 0 -4.199 -0.106 -1.976
32 H9 H H9 N N N 0 -6.148 1.328 -1.417
33 H10 H H10 N N N 0 -6.332 2.288 0.841
34 H11 H H11 N N N 0 -2.789 0.487 2.031
35 H12 H H12 N N N 0 2.815 4.012 -0.756
36 H13 H H13 N N N 0 3.058 2.965 0.663
37 H14 H H14 N N N 0 4.422 3.322 -0.423
38 H15 H H15 N N N 0 1.923 1.735 -1.167
39 H16 H H16 N N N 0 4.479 2.343 -2.721
40 H17 H H17 N N N 0 3.155 1.289 -3.272
41 H18 H H18 N N N 0 2.872 3.033 -3.054
42 H19 H H19 N N N 0 4.059 -1.914 3.03
43 H20 H H20 N N N 0 3.48 -0.37 3.246
44 H22 H H22 N N N 0 -1.214 1.344 1.265
45 H23 H H23 N N N 0 -0.248 1.683 -0.192
46 H24 H H24 N N N 0 -3.195 -2.457 -1.145