Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : PBI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 34


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 3.227 0.037 2.442
2 CA1 C CA1 N N N 0 1.906 0.161 3.071
3 C1 C C1 N N N 0 0.864 0.401 2.009
4 N2 N N2 N N N 0 1.136 0.479 0.754
5 N3 N N3 N N N 0 -0.467 0.554 2.28
6 C2 C C2 N N N 0 -1.165 0.758 1.142
7 O2 O O2 N N N 0 -2.359 0.932 1.028
8 CA2 C CA2 S N N 0 -0.127 0.717 0.038
9 CA3 C CA3 N N N 0 -1.055 0.509 3.622
10 C3 C C3 N N N 0 -1.452 -0.906 3.949
11 O3 O O3 N N N 0 -0.965 -1.465 4.902
12 CB2 C CB2 N N N 0 -0.417 -0.427 -0.934
13 CG2 C CG2 N N N 0 0.7 -0.507 -1.975
14 CD1 C CD1 N N N 0 0.4 -1.63 -2.918
15 CD2 C CD2 N N N 0 0.815 0.816 -2.662
16 CE1 C CE1 N N N 0 -0.057 -1.439 -4.148
17 CE2 C CE2 N N N 0 0.361 1.036 -3.889
18 CZ C CZ N N N 0 -0.277 -0.064 -4.633
19 OH O OH N N N 0 -0.962 0.154 -5.615
20 HN11 H 1HN1 N N N 0 3.207 -0.804 1.887
21 HN12 H 2HN1 N N N 0 3.889 -0.121 3.186
22 HA11 H 1HA1 N N N 0 1.672 -0.757 3.608
23 HA12 H 2HA1 N N N 0 1.913 0.998 3.769
24 HA2 H HA2 N N N 0 -0.093 1.669 -0.491
25 HA31 H 1HA3 N N N 0 -0.324 0.859 4.35
26 HA32 H 2HA3 N N N 0 -1.936 1.15 3.654
27 HC3 H HC3 N N N 0 -2.173 -1.422 3.331
28 HB21 H 1HB2 N N N 0 -0.47 -1.366 -0.384
29 HB22 H 2HB2 N N N 0 -1.368 -0.245 -1.435
30 HG2 H HG2 N N N 0 1.639 -0.719 -1.465
31 HD1 H HD1 N N N 0 0.565 -2.643 -2.581
32 HD2 H HD2 N N N 0 1.289 1.63 -2.134
33 HE1 H HE1 N N N 0 -0.268 -2.283 -4.788
34 HE2 H HE2 N N N 0 0.459 2.013 -4.339