Structure of PDB 1gq7 Chain E Binding Site BS01

Receptor Information
>1gq7 Chain E (length=301) Species: 1901 (Streptomyces clavuligerus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPRYAQIPTFMRLPHDPQPRGYDVVVIGAPYDGGTSYRPGARFGPQAIRS
ESGLIHGVGIDRGPGTFDLINCVDAGDINLTPFDMNIAIDTAQSHLSGLL
KANAAFLMIGGDHSLTVAALRAVAEQHGPLAVVHLDAHSDTNPAFYGGRY
HHGTPFRHGIDEKLIDPAAMVQIGIRGHNPKPDSLDYARGHGVRVVTADE
FGELGVGGTADLIREKVGQRPVYVSVDIDVVDPAFAPGTGTPAPGGLLSR
EVLALLRCVGDLKPVGFDVMEVSPLYDHGGITSILATEIGAELLYQYARA
H
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1gq7 Chain E Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gq7 Oligomeric structure of proclavaminic acid amidino hydrolase: evolution of a hydrolytic enzyme in clavulanic acid biosynthesis.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		H121 D144 D148 D235
Binding residue
(residue number reindexed from 1)		H113 D136 D140 D227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H121 D144 H146 D148 H160 D235 D237 E279
Catalytic site (residue number reindexed from 1) H113 D136 H138 D140 H152 D227 D229 E271
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1gq7, PDBe:1gq7, PDBj:1gq7
PDBsum1gq7
PubMed12020346
UniProtP0DJQ3|PAH_STRCL Proclavaminate amidinohydrolase (Gene Name=pah)

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