Structure of PDB 3f41 Chain B Binding Site BS01

Receptor Information
>3f41 Chain B (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 B Residue 3 [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 G255 R256
Binding residue
(residue number reindexed from 1)		D175 C204 M208 G209 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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