Structure of PDB 1bf6 Chain B Binding Site BS02

Receptor Information
>1bf6 Chain B (length=291) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFDPTGYTLAHEHLHIDLSGFKNNVDCRLDQYAFICQEMNDLMTRGVRNV
IEMTNRYMGRNAQFMLDVMRETGINVVACTGYYQDAFFPEHVATRSVQEL
AQEMVDEIEQGIDGTELKAGIIAEIGTSEGKITPLEEKVFIAAALAHNQT
GRPISTHTSFSTMGLEQLALLQAHGVDLSRVTVGHCDLKDNLDNILKMID
LGAYVQFDTIGKNSYYPDEKRIAMLHALRDRGLLNRVMLSMDITRRSHLK
ANGGYGYDYLLTTFIPQLRQSGFSQADVDVMLRENPSQFFQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1bf6 Chain B Residue 294 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bf6 Biochemical characterization and crystallographic structure of an Escherichia coli protein from the phosphotriesterase gene family.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E125 H158 H186
Binding residue
(residue number reindexed from 1)		E124 H157 H185
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H12 H14 E125 H158 H186 L189 T210 D243
Catalytic site (residue number reindexed from 1) H11 H13 E124 H157 H185 L188 T209 D242
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1bf6, PDBe:1bf6, PDBj:1bf6
PDBsum1bf6
PubMed9548740
UniProtP45548|PHP_ECOLI Phosphotriesterase homology protein (Gene Name=php)

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