Structure of PDB 8aq0 Chain A Binding Site BS01

Receptor Information
>8aq0 Chain A (length=410) Species: 382 (Sinorhizobium meliloti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENRRVNADRLWDSLMEMAKIGPGVAGGNNRQTLTDADGEGRRLFQSWCEE
AGLSMGVDKMGTMFLTRPGTDPDALPVHIGSHLDTQPTGGKFDGVLGVLS
GLEAVRTMNDLGIKTKHPIVVTNWTNEEGARFAPAMLASGVFAGVHTLEY
AYARKDPEGKSFGDELKRIGWLGDEEVGARKMHAYFEYHIEQGPILEAEN
KQIGVVTHCQGGWWLEFTLTGREAHTGSTPMDMRVNAGLAMARILEMVQT
VAMENQPGAVGGVGQMFFSPNSRNVLPGKVVFTVDIRSPDQAKLDGMRAR
IEAEAPKICERLGVGCSIEAVGHCDPVTFDPKLVETVRGAAEKLGYSHMN
LVSGAGHDACWAAKVAPTTMIMCPCVGGLSHNEAEDISREWAAAGADVLF
HAVLETAEIV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8aq0 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8aq0 Selecting Better Biocatalysts by Complementing Recoded Bacteria.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H87 D98 H194
Binding residue
(residue number reindexed from 1)		H82 D93 H189
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.87: N-carbamoyl-L-amino-acid hydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016813 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
GO:0046872 metal ion binding
GO:0050538 N-carbamoyl-L-amino-acid hydrolase activity
Biological Process
GO:0008652 amino acid biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8aq0, PDBe:8aq0, PDBj:8aq0
PDBsum8aq0
PubMed36342942
UniProtQ6DTN4|HYUC_RHIML N-carbamoyl-L-amino-acid hydrolase (Gene Name=hyuC)

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