Structure of PDB 8hpc Chain C Binding Site BS01

Receptor Information
>8hpc Chain C (length=303) Species: 252128 (Agrobacterium sp. KNK712) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRQMILAVGQQGPIARAETREQVVVRLLDMLTKAASRGANFIVFPELALT
TFFPRWHFTDEAELDSFYETEMPGPVVRPLFEKAAELGIGFNLGYAELVV
EGGVKRRFNTSILVDKSGKIVGKYRKIHLPGHKEYEAYRPFQHLEKRYFE
PGDLGFPVYDVDAAKMGMFIANDRRWPEAWRVMGLRGAEIICGGYNTPTH
NPPVPQHDHLTSFHHLLSMQAGSYQNGAWSAAAGKVGMEENCMLLGHSCI
VAPTGEIVALTTTLEDEVITAAVDLDRCRELREHIFNFKQHRQPQHYGLI
AEL
Ligand information
Ligand IDM9L
InChIInChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)/t7-/m1/s1
InChIKeyGSHIDXLOTQDUAV-SSDOTTSWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(C(=O)O)NC(=O)N)O
CACTVS 3.385NC(=O)N[CH](C(O)=O)c1ccc(O)cc1
CACTVS 3.385NC(=O)N[C@@H](C(O)=O)c1ccc(O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@H](C(=O)O)NC(=O)N)O
FormulaC9 H10 N2 O4
Name(2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8hpc Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hpc Production of D-p-hydroxyphenylglycine by double-enzyme cascade
Resolution2.52 Å
Binding residue
(original residue number in PDB)		E67 K147 P151 H164 E166 A192 N193 R196 N217 N222
Binding residue
(residue number reindexed from 1)		E46 K126 P130 H143 E145 A171 N172 R175 N196 N201
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.77: N-carbamoyl-D-amino-acid hydrolase.
Gene Ontology
Molecular Function
GO:0003837 beta-ureidopropionase activity
GO:0016787 hydrolase activity
GO:0047417 N-carbamoyl-D-amino acid hydrolase activity
Biological Process
GO:0033396 beta-alanine biosynthetic process via 3-ureidopropionate

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Molecular Function
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Biological Process
External links
PDB RCSB:8hpc, PDBe:8hpc, PDBj:8hpc
PDBsum8hpc
PubMed
UniProtP60327|DCAS_AGRSK N-carbamoyl-D-amino acid hydrolase

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