Structure of PDB 2hf7 Chain B Binding Site BS02

Receptor Information
>2hf7 Chain B (length=211) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPSPLNPGTNVARLAEQAPIHWVSVAQIENSLAGRPPMAVGFDIDDTVLF
SSPGFWRGKKTFSPESEDYLKNPVFWEKMNNGWDEFSIPKEVARQLIDMH
VRRGDAIFFVTGRSPTKTETVSKTLADNFHIPATNMNPVIFAGDKPGQNT
KSQWLQDKNIRIFYGDSDNDITAARDVGARGIRILRASNSTYKPLPQAGA
FGEEVIVNSEY
Ligand information
Ligand IDAF3
InChIInChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
InChIKeyKLZUFWVZNOTSEM-UHFFFAOYSA-K
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al](F)F
FormulaAl F3
NameALUMINUM FLUORIDE
ChEMBL
DrugBank
ZINC
PDB chain2hf7 Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hf7 A Structure-Based Proposal for the Catalytic Mechanism of Bacterial Acid Phosphatase Apha Belonging to the Dddd Superfamily of Phosphohydrolases
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D44 I45 D46 T112 G113 K152
Binding residue
(residue number reindexed from 1)		D43 I44 D45 T111 G112 K151
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003993 acid phosphatase activity
GO:0016787 hydrolase activity
GO:0036424 L-phosphoserine phosphatase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2hf7, PDBe:2hf7, PDBj:2hf7
PDBsum2hf7
PubMed
UniProtP0AE22|APHA_ECOLI Class B acid phosphatase (Gene Name=aphA)

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