Structure of PDB 1w5n Chain A Binding Site BS01

Receptor Information

>1w5n Chain A (length=322) Species: 208964 (Pseudomonas aeruginosa PAO1)

NRAYPYTRLRRNRRDDFSRRLVRENVLTVDDLILPVFVLDGVNQRESIPS
MPGVERLSIDQLLIEAEEWVALGIPALALFPVTPVEKKSLDAAEAYNPEG
IAQRATRALRERFPELGIITDVALCPFTTHGQCGILDDDGYVLNDVSIDV
LVRQALSHAEAGAQVVAPSDMMDGRIGAIREALESAGHTNVRVMAYSAKY
ASAYYGPFRDAVGSNKATYQMDPANSDEALHEVAADLAEGADMVMVKPGM
PYLDIVRRVKDEFRAPTFVYQVSGEYAMHMGAIQNGWLAESVILESLTAF
KRAGADGILTYFAKQAAEQLRR

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1w5n Chain A Residue 1340

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1w5n Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): C131 C139
• Binding residue (residue number reindexed from 1): C125 C133
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K205 K260
• Catalytic site (residue number reindexed from 1): K199 K247
• 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:1w5n, PDBe:1w5n, PDBj:1w5n
• PDBsum: 1w5n
• PubMed: 15644204
• UniProt: Q59643|HEM2_PSEAE Delta-aminolevulinic acid dehydratase (Gene Name=hemB)