4WHQ: Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5

PDB ID: 4WHQDownload
MMDB ID: 125840
PDB Deposition Date: 2014/9/23
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.78  Å
Source Organism:
Similar Structures:
Biological Unit for 4WHQ: 24-meric; determined by author and by software (PISA)
Molecular Components in 4WHQ
Label Count Molecule
Proteins (24 molecules)
12
Protocatechuate 3,4-dioxygenase Alpha Chain
Molecule annotation
12
Protocatechuate 3,4-dioxygenase Beta Chain
Molecule annotation
Chemicals and Non-standard biopolymers (152 molecules)
1
12
CHLORIDE IONCHLORIDE ION
2
68
4-fluorobenzene-1,2-diol4-fluorobenzene-1,2-diol
3
12
FE (III) IONFE (III) ION
4
32
BETA-MERCAPTOETHANOLBETA-MERCAPTOETHANOL
5
12
BICARBONATE IONBICARBONATE ION
6
4
SULFATE IONSULFATE ION
7
4
SODIUM IONSODIUM ION
8
4
GLYCEROLGLYCEROL
9
4
(6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one(6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303