Structure of PDB 1y37 Chain B Binding Site BS01

Receptor Information
>1y37 Chain B (length=294) Species: 384033 (Burkholderia sp. FA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFEGFERRLVDVGDVTINCVVGGSGPALLLLHGFPQNLHMWARVAPLLAN
EYTVVCADLRGYGGSSKPVGAPDHANYSFRAMASDQRELMRTLGFERFHL
VGHDRGGRTGHRMALDHPDSVLSLAVLDIIPTYVMFEEVDRFVARAYWHW
YFLQQPAPYPEKVIGADPDTFYEGCLFGWGATGADGFDPEQLEEYRKQWR
DPAAIHGSCCDYRAGGTIDFELDHGDLGRQVQCPALVFSGSAGLMHSLFE
MQVVWAPRLANMRFASLPGGHFFVDRFPDDTARILREFLSDARS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1y37 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1y37 Crystal Structure of Fluoroacetate Dehalogenase FA1
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Y77 F79 D211 D219
Binding residue
(residue number reindexed from 1)		Y77 F79 D211 D219
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F34 N37 H103 D104 R105 H149 Y212 G243 H271
Catalytic site (residue number reindexed from 1) F34 N37 H103 D104 R105 H149 Y212 G243 H271
Enzyme Commision number 3.8.1.3: haloacetate dehalogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0018785 haloacetate dehalogenase activity

View graph for
Molecular Function
External links
PDB RCSB:1y37, PDBe:1y37, PDBj:1y37
PDBsum1y37
PubMed
UniProtQ1JU72|DEHA_BURSP Fluoroacetate dehalogenase (Gene Name=fac-dex)

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