Structure of PDB 4wu3 Chain C Binding Site BS01

Receptor Information
>4wu3 Chain C (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
HYHSYAGMGRTTIFMVMHDILKNAKDVSFDDIIQRQKLIGIVDLSEIPDK
KKNYGRKAYIERYQFVQHFYDYVKENPDLKTPYSVWAKKNKVNSWEPDYN
GYIWRLDTKDRNQLPRNFRTMNSAFRTDVNVKKTGKGFTPTPTRKGLDTL
YMSGSAEFSNGELQAMLPVLKQQAKGPIYIMDLRQETHGVFNGNAVSWYG
LRDWGNLGKNKAEVLKDENSRLNAARGKSLIVAELDKDKMPIDPKPVKIE
SVMTEQQLVEKNGLHYYRIAATDHIWPSAANIDEFINFTRTMPANAWLHF
HSQAGAGRTTAYMAMYDMMKNPDVSLGDILSRQYLLGGNYVAYEIAKPKP
DQWKADYYHQKAHMIEKFYQYVQENHADGFKTSWSQWLAA
Ligand information
Ligand ID4IP
InChIInChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKeyCIPFCGZLFXVXBG-CNWJWELYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O
OpenEye OEToolkits 1.7.6[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
CACTVS 3.385O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
OpenEye OEToolkits 1.7.6C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
CACTVS 3.385O[C@H]1[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H16 O18 P4
NameINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE
ChEMBLCHEMBL23552
DrugBankDB01863
ZINCZINC000012494830
PDB chain4wu3 Chain C Residue 701 [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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PDB4wu3 Structural analysis of a multifunctional, tandemly repeated inositol polyphosphatase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K296 K297 Y305
Binding residue
(residue number reindexed from 1)		K250 K251 Y259
Annotation score4
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
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4wu3, PDBe:4wu3, PDBj:4wu3
PDBsum4wu3
PubMed
UniProtA3QMF6

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