4WHS: 4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5

PDB ID: 4WHSDownload
MMDB ID: 125842
PDB Deposition Date: 2014/9/23
Updated in MMDB: 2023/11
Experimental Method:
x-ray diffraction
Resolution: 1.35  Å
Source Organism:
Similar Structures:
Biological Unit for 4WHS: 24-meric; determined by author and by software (PISA)
Molecular Components in 4WHS
Label Count Molecule
Proteins (24 molecules)
12
Protocatechuate 3,4-dioxygenase Alpha Chain
Molecule annotation
8
Protocatechuate 3,4-dioxygenase Beta Chain
Molecule annotation
4
Protocatechuate 3,4-dioxygenase Beta Chain
Molecule annotation
Chemicals and Non-standard biopolymers (92 molecules)
1
40
4-fluorobenzene-1,2-diol4-fluorobenzene-1,2-diol
2
4
SULFATE IONSULFATE ION
3
12
FE (III) IONFE (III) ION
4
16
BETA-MERCAPTOETHANOLBETA-MERCAPTOETHANOL
5
12
CHLORIDE IONCHLORIDE ION
6
8
[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
* 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