Structure of PDB 2woq Chain A Binding Site BS02

Receptor Information

>2woq Chain A (length=328) Species: 287 (Pseudomonas aeruginosa)

ANRAYPYTRLRRNRRDDFSRRLVRENVLTVDDLILPVFVLDGVNQRESIP
SMPGVERLSIDQLLIEAEEWVALGIPALALFPVTPVEKKSLDAAEAYNPE
GIAQRATRALRERFPELGIITDVALDPFTTHGQDGILDDDGYVLNDVSID
VLVRQALSHAEAGAQVVAPSDMMDGRIGAIREALESAGHTNVRIMAYSAK
YASAYYGPFRDAVGSASNLGKGNKATYQMDPANSDEALHEVAADLAEGAD
MVMVKPGMPYLDIVRRVKDEFRAPTFVYQVSGEYAMHMGAIQNGWLAESV
ILESLTAFKRAGADGILTYFAKQAAEQL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2woq Chain A Residue 1336

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2woq Structure of the heme biosynthetic Pseudomonas aeruginosa porphobilinogen synthase in complex with the antibiotic alaremycin.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): D131 D139 D176
• Binding residue (residue number reindexed from 1): D126 D134 D171
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K205 K260
• Catalytic site (residue number reindexed from 1): K200 K255
• Enzyme Commision number: 4.2.1.24: porphobilinogen synthase.

Gene Ontology

Molecular Function

• GO:0004655 porphobilinogen synthase activity
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006779 porphyrin-containing compound biosynthetic process
• GO:0006782 protoporphyrinogen IX biosynthetic process
• GO:0006783 heme biosynthetic process
• GO:0033014 tetrapyrrole biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:2woq, PDBe:2woq, PDBj:2woq
• PDBsum: 2woq
• PubMed: 19822707
• UniProt: Q59643|HEM2_PSEAE Delta-aminolevulinic acid dehydratase (Gene Name=hemB)