Structure of PDB 8apz Chain B Binding Site BS01

Receptor Information
>8apz Chain B (length=410) Species: 382 (Sinorhizobium meliloti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRRVNADRLWDSLMEMAKIGPGVAGGNNRQTLTDADGEGRRLFQSWCEEA
GLSMGVDKMGTMFLTRPGTDPDALPVHIGSHLDTQPTGGKFDGVLGVLSG
LEAVRTMNDLGIKTKHPIVVTNWTNEEGARFAPAMLASGVFAGVHTLEYA
YARKDPEGKSFGDELKRIGWLGDEEVGARKMHAYFEYHIEQGPILEAENK
QIGVVTHCQGLWWLEFTLTGREAHTGSTPMDMRVNAGLAMARILEMVQTV
AMENQPGAVGGVGQMFFSPNSRNVLPGKVVFTVDIRSPDQAKLDGMRARI
EAEAPKICERLGVGCSIEAVGHFDPVTFDPKLVETVRGAAEKLGYSHMNL
VSGAGHDACWAAKVAPTTMIMCPCVGGLSHNEAEDISREWAAAGADVLFH
AVLETAEIVE
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)		H230 N279
Binding residue
(residue number reindexed from 1)		H224 N273
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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