Structure of PDB 2qfr Chain A Binding Site BS01

Receptor Information
>2qfr Chain A (length=424) Species: 3885 (Phaseolus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDMPLDSDVFRVPPGYNAPQQVHITQGDLVGRAMIISWVTMDEPGSSAVR
YWSEKNGRKRIAKGKMSTYRFFNYSSGFIHHTTIRKLKYNTKYYYEVGLR
NTTRRFSFITPPQTGLDVPYTFGLIGDLGQSFDSNTTLSHYELSPKKGQT
VLFVGDLSYADRYPNHDNVRWDTWGRFTERSVAYQPWIWTAGNHEIEFAP
EINETEPFKPFSYRYHVPYEASQSTSPFWYSIKRASAHIIVLSSYSAYGR
GTPQYTWLKKELRKVKRSETPWLIVLMHSPLYNSYNHHFMEGEAMRTKFE
AWFVKYKVDVVFAGHVHAYERSERVSNIAYKITNGLCTPVKDQSAPVYIT
IGDAGNYGVIDSNMIQPQPEYSAFREASFGHGMFDIKNRTHAHFSWNRNQ
DGVAVEADSVWFFNRHWYPVDDST
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2qfr Chain A Residue 433 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qfr Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D135 D164 Y167 H325
Binding residue
(residue number reindexed from 1)		D127 D156 Y159 H317
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D135 D164 Y167 N201 H202 H286 H295 H296 H323 H325
Catalytic site (residue number reindexed from 1) D127 D156 Y159 N193 H194 H278 H287 H288 H315 H317
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0008199 ferric iron binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:2qfr, PDBe:2qfr, PDBj:2qfr
PDBsum2qfr
PubMed18234116
UniProtP80366|PPAF_PHAVU Fe(3+)-Zn(2+) purple acid phosphatase

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