Structure of PDB 8yrv Chain A Binding Site BS01

Receptor Information
>8yrv Chain A (length=279) Species: 760192 (Haliscomenobacter hydrossis DSM 1100) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHMIKYYNINGQQVPVENATLHVSDLSILRGYGIFDYFLAREGHPLFLDD
YLNRFYRSAAELYLEIPFDKAELRRQIYALLQANEVREAGIRLVLTGGYS
PDGYTPVNPNLLIMMYDLPASSAQGIKIITHPFQRELPEVKTINYSTGIR
MLKTIKERGATDLIYVDQGEWIRESARSNFFLVMPDNTIVTADEKILWGI
TRRQVIDAAREAGYAVEERRIHITELDQAREAFFTSTIKGVMAIGQIDDR
VFGDGTIGKVTQELQDLFVGKVKAYLETC
Ligand information
Ligand IDOCF
InChIInChI=1S/C11H15N2O8P/c1-7-11(16)9(5-13-20-3-2-10(14)15)8(4-12-7)6-21-22(17,18)19/h4-5,16H,2-3,6H2,1H3,(H,14,15)(H2,17,18,19)/b13-5+
InChIKeyWFKOVQOIGDESOJ-WLRTZDKTSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(\C=N\OCCC(O)=O)c1O
OpenEye OEToolkits 3.1.0.0Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCCC(=O)O)O
OpenEye OEToolkits 3.1.0.0Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCCC(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O)=O)c1O
FormulaC11 H15 N2 O8 P
Name3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid;
PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid
ChEMBL
DrugBank
ZINC
PDB chain8yrv Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8yrv Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis complexed with 3-aminooxypropionic acid
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y35 R52 R137 K143 Y147 E176 A178 R179 S180 N181 L199 G201 I202 T203 T239 I240
Binding residue
(residue number reindexed from 1)		Y37 R54 R135 K141 Y145 E174 A176 R177 S178 N179 L197 G199 I200 T201 T237 I238
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0046872 metal ion binding
Biological Process
GO:0019752 carboxylic acid metabolic process
GO:0046394 carboxylic acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8yrv, PDBe:8yrv, PDBj:8yrv
PDBsum8yrv
PubMed
UniProtF4KWH0

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