Structure of PDB 8apz Chain A Binding Site BS05

Receptor Information
>8apz Chain A (length=412) Species: 382 (Sinorhizobium meliloti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GENRRVNADRLWDSLMEMAKIGPGVAGGNNRQTLTDADGEGRRLFQSWCE
EAGLSMGVDKMGTMFLTRPGTDPDALPVHIGSHLDTQPTGGKFDGVLGVL
SGLEAVRTMNDLGIKTKHPIVVTNWTNEEGARFAPAMLASGVFAGVHTLE
YAYARKDPEGKSFGDELKRIGWLGDEEVGARKMHAYFEYHIEQGPILEAE
NKQIGVVTHCQGLWWLEFTLTGREAHTGSTPMDMRVNAGLAMARILEMVQ
TVAMENQPGAVGGVGQMFFSPNSRNVLPGKVVFTVDIRSPDQAKLDGMRA
RIEAEAPKICERLGVGCSIEAVGHFDPVTFDPKLVETVRGAAEKLGYSHM
NLVSGAGHDACWAAKVAPTTMIMCPCVGGLSHNEAEDISREWAAAGADVL
FHAVLETAEIVE
Ligand information
Ligand IDORD
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
InChIKeyAHLPHDHHMVZTML-SCSAIBSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1C(C[C@H](C(=O)O)N)CN
CACTVS 3.352NCCC[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN
CACTVS 3.352NCCC[C@@H](N)C(O)=O
OpenEye OEToolkits 1.6.1C(CC(C(=O)O)N)CN
FormulaC5 H12 N2 O2
NameD-ORNITHINE
ChEMBLCHEMBL103686
DrugBank
ZINCZINC000001532678
PDB chain8apz Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8apz Selecting Better Biocatalysts by Complementing Recoded Bacteria.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H87 D98 E132 E133 H194 Q197 R292 A360 G361
Binding residue
(residue number reindexed from 1)		H83 D94 E128 E129 H190 Q193 R288 A356 G357
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
View graph for
Biological Process
External links
PDB RCSB:8apz, PDBe:8apz, PDBj:8apz
PDBsum8apz
PubMed36342942
UniProtQ6DTN4|HYUC_RHIML N-carbamoyl-L-amino-acid hydrolase (Gene Name=hyuC)

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