Structure of PDB 1qhw Chain A Binding Site BS02

Receptor Information
>1qhw Chain A (length=300) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STLRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQIMGADFIMSLGDNF
YFTGVHDANDKRFQETFEDVFSDRALRNIPWYVLAGNHDHLGNVSAQIAY
SKISKRWNFPSPYYRLRFKVPRSNITVAIFMLDTVMLCGNSDDFVSQQPE
MPRDLGVARTQLSWLKKQLAAAKEDYVLVAGHYPIWSIAEHGPTRCLVKN
LRPLLAAYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSVRHQRK
VPNGYLRFHYGSEDSLGGFTYVEIGSKEMSITYVEASGKSLFKTSLPRRP
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 chain1qhw Chain A Residue 434 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qhw Three-dimensional structure of a mammalian purple acid phosphatase at 2.2 A resolution with a mu-(hydr)oxo bridged di-iron center.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D73 N112 H207 H242
Binding residue
(residue number reindexed from 1)		D48 N87 H182 H217
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:1qhw, PDBe:1qhw, PDBj:1qhw
PDBsum1qhw
PubMed10438611
UniProtP29288|PPA5_RAT Tartrate-resistant acid phosphatase type 5 (Gene Name=Acp5)

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