Structure of PDB 4v15 Chain B Binding Site BS01

Receptor Information
>4v15 Chain B (length=372) Species: 85698 (Achromobacter xylosoxidans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIALPPAAQPGDPLARVDTPSLVLDLPAFEANLRAMQAWADRHEVALRPH
AKAHKCPEIALRQLALGARGICCQKVSEALPFVAAGIRDIHISNEVVGPA
KLALLGQLARAAKISVCVDNAENLAQLSAAMTRAGAEIDVLVEVDVGQGR
CGVSDDATVLALAQQARALPGLNFAGLQAYHGSVQHYRTREERAAVCRQA
ARIAASYAQLLRESGIACDTITGGGTGSVEFDAASGVYTELQAGSYAFMD
SDYGANEWNGPLKFQNSLFVLSTVMSTPAPGRVILDAGLKSTTAECGPPA
VYGEPGLTYAAINDEHGVVRVEPGAQAPALGAVLRLVPSHVDPTFNLHDG
LVVVKDGVVQDVWEIAARGFSR
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain4v15 Chain B Residue 1380 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4v15 The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H57 K59 R157 Y187 T233 Q249 A250 G251 S252 Y260
Binding residue
(residue number reindexed from 1)		H50 K52 R150 Y180 T226 Q242 A243 G244 S245 Y253
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.42: D-threonine aldolase.
Gene Ontology
Molecular Function
GO:0008721 D-serine ammonia-lyase activity
GO:0016829 lyase activity
GO:0043876 D-threonine aldolase activity
GO:0046872 metal ion binding
Biological Process
GO:0036088 D-serine catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4v15, PDBe:4v15, PDBj:4v15
PDBsum4v15
PubMed25884707
UniProtA0A0J9X243

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