Structure of PDB 3f41 Chain A Binding Site BS01

Receptor Information
>3f41 Chain A (length=590) Species: 52226 (Mitsuokella multacida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAVVKNPPKLALKIDRADVNQLPRNFRMGSDKYVGVTKTGIMPTRKGMDT
MNVSASSCFSEKELEAILKKVPVKPSQFYDVDLRGESHGYLNGTAVSWFA
NHDWGNDGRTEDIIIPLEKEQLASLKGSTVKSIYRFDDKKNVILSPVYVN
YNKVRTEEEMVKQHGANYFRLTLQDHFRPDDPDVDKFLEFYKSLPKDAWL
HYHCYAGMGRTTIFMVMHDILKNAKDVSFDDIIQRQKLIGIVDLSEIPDK
KKNYGRKAYIERYQFVQHFYDYVKENPDLKTPYSVWAKKNKVNSWEPDYN
GYIWRLDTKDRNQLPRNFRTMNSAFRTDVNVKKTGKGFTPTPTRKGLDTL
YMSGSAEFSNGELQAMLPVLKQQAKGPIYIMDLRQETHGVFNGNAVSWYG
LRDWGNLGKNKAEVLKDENSRLNAARGKSLIVAELDKDKMPIDPKPVKIE
SVMTEQQLVEKNGLHYYRIAATDHIWPSAANIDEFINFTRTMPANAWLHF
HCQAGAGRTTAYMAMYDMMKNPDVSLGDILSRQYLLGGNYVAYEIAKPKP
DQWKADYYHQKAHMIEKFYQYVQENHADGFKTSWSQWLAA
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3f41 Chain A Residue 1 [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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PDB3f41 Structural analysis of a multifunctional, tandemly repeated inositol polyphosphatase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D221 C250 M254 R256
Binding residue
(residue number reindexed from 1)		D175 C204 M208 R210
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.8: 3-phytase.
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
GO:0016158 3-phytase activity
GO:0016787 hydrolase activity
Biological Process
GO:0016311 dephosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3f41, PDBe:3f41, PDBj:3f41
PDBsum3f41
PubMed19500593
UniProtA3QMF6

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