Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : J2F

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 39


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N1 N N N 0 -4.852 -1.133 1.206
2 C4 C C4 N Y N 0 -2.339 -1.566 -0.607
3 C5 C C5 N Y N 0 -0.995 -1.843 -0.451
4 C6 C C6 N Y N 0 -0.08 -0.804 -0.363
5 C7 C C7 N Y N 0 -0.517 0.51 -0.433
6 C8 C C8 N Y N 0 -1.862 0.782 -0.588
7 C10 C C10 N Y N 0 3.544 -0.445 0.04
8 C13 C C13 N Y N 0 6.14 -1.345 0.347
9 C15 C C15 N Y N 0 4.582 0.461 0.143
10 CA C C1 S N N 0 -4.904 0.165 0.521
11 C11 C C11 N Y N 0 3.803 -1.802 0.096
12 C12 C C12 N Y N 0 5.101 -2.252 0.25
13 C14 C C14 N Y N 0 5.88 0.012 0.296
14 C C C16 N N N 0 -6.341 0.585 0.348
15 C2 C C2 N N N 0 -4.239 0.044 -0.852
16 C3 C C3 N Y N 0 -2.773 -0.255 -0.675
17 C9 C C9 N N N 0 2.128 0.045 -0.127
18 N2 N N2 N N N 1 4.303 1.914 0.089
19 O1 O O1 N N N 0 1.243 -1.074 -0.21
20 O2 O O2 N N N 0 3.159 2.31 -0.046
21 O3 O O3 N N N -1 5.218 2.713 0.18
22 O O O5 N N N 0 -7.223 -0.24 0.409
23 H H H1 N N N 0 -5.334 -1.842 0.674
24 H2 H H2 N N Y 0 -3.898 -1.407 1.392
25 H4 H H4 N N N 0 -3.052 -2.374 -0.679
26 H5 H H5 N N N 0 -0.657 -2.867 -0.397
27 H6 H H6 N N N 0 0.194 1.321 -0.365
28 H7 H H7 N N N 0 -2.204 1.806 -0.642
29 H8 H H8 N N N 0 7.154 -1.696 0.467
30 HA H H9 N N N 0 -4.377 0.911 1.116
31 H10 H H10 N N N 0 2.992 -2.511 0.02
32 H11 H H11 N N N 0 5.304 -3.312 0.29
33 H12 H H12 N N N 0 6.691 0.72 0.372
34 H14 H H14 N N N 0 -4.71 -0.763 -1.413
35 H15 H H15 N N N 0 -4.356 0.982 -1.395
36 H16 H H16 N N N 0 1.854 0.662 0.728
37 H17 H H17 N N N 0 2.054 0.635 -1.041
38 OXT O OXT N N Y 0 -6.642 1.874 0.127
39 HXT H HXT N N Y 0 -7.577 2.095 0.022