Structure of PDB 1gq6 Chain C Binding Site BS01

Receptor Information

>1gq6 Chain C (length=292) Species: 1901 (Streptomyces clavuligerus)

SPRYAQIPTFMRLPHDPQPRGYDVVVIGAPYDGGTSYRPGARFGPQAIRS
ESGLIHGVGIDGTFDLINCVDAGDINLTPFDMNIAIDTAQSHLSGLLKAN
AAFLMIGGDHSLTVAALRAVAEQHGPLAVVHLDAHSDTNPAFYGGRYHHG
TPFRHGIDEKLIDPAAMVQIGIRGHLDYARGHGVRVVTADEFGELGVGGT
ADLIREKVGQRPVYVSVDIDVVDPAFAPGTGTPAPGGLLSREVLALLRCV
GDLKPVGFDVMEVSPLYDHGGITSILATEIGAELLYQYARAH

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1gq6 Chain C Residue 350

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gq6 Oligomeric Structure of Proclavaminic Acid Amidino Hydrolase: Evolution of a Hydrolytic Enzyme in Clavulanic Acid Biosynthesis
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): H121 D144 D148 D235
• Binding residue (residue number reindexed from 1): H110 D133 D137 D218
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H121 D144 H146 D148 H160 D235 D237 E279
• Catalytic site (residue number reindexed from 1): H110 D133 H135 D137 H149 D218 D220 E262
• Enzyme Commision number: 3.5.3.22: proclavaminate amidinohydrolase.

Gene Ontology

Molecular Function

• GO:0008783 agmatinase activity
• GO:0016787 hydrolase activity
• GO:0016813 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
• GO:0033972 proclavaminate amidinohydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0033050 clavulanic acid biosynthetic process
• GO:0033389 putrescine biosynthetic process from arginine, using agmatinase

External links

• PDB: RCSB:1gq6, PDBe:1gq6, PDBj:1gq6
• PDBsum: 1gq6
• PubMed: 12020346
• UniProt: P0DJQ3|PAH_STRCL Proclavaminate amidinohydrolase (Gene Name=pah)