Structure of PDB 4wu3 Chain D Binding Site BS02

Receptor Information

>4wu3 Chain D (length=590) Species: 52226 (Mitsuokella multacida)

PAVVKNPPKLALKIDRADVNQLPRNFRMGSDKYVGVTKTGIMPTRKGMDT
MNVSASSCFSEKELEAILKKVPVKPSQFYDVDLRGESHGYLNGTAVSWFA
NHDWGNDGRTEDIIIPLEKEQLASLKGSTVKSIYRFDDKKNVILSPVYVN
YNKVRTEEEMVKQHGANYFRLTLQDHFRPDDPDVDKFLEFYKSLPKDAWL
HYHSYAGMGRTTIFMVMHDILKNAKDVSFDDIIQRQKLIGIVDLSEIPDK
KKNYGRKAYIERYQFVQHFYDYVKENPDLKTPYSVWAKKNKVNSWEPDYN
GYIWRLDTKDRNQLPRNFRTMNSAFRTDVNVKKTGKGFTPTPTRKGLDTL
YMSGSAEFSNGELQAMLPVLKQQAKGPIYIMDLRQETHGVFNGNAVSWYG
LRDWGNLGKNKAEVLKDENSRLNAARGKSLIVAELDKDKMPIDPKPVKIE
SVMTEQQLVEKNGLHYYRIAATDHIWPSAANIDEFINFTRTMPANAWLHF
HSQAGAGRTTAYMAMYDMMKNPDVSLGDILSRQYLLGGNYVAYEIAKPKP
DQWKADYYHQKAHMIEKFYQYVQENHADGFKTSWSQWLAA

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  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-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4wu3 Chain D Residue 702

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wu3 Structural analysis of a multifunctional, tandemly repeated inositol polyphosphatase.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): S548 Q549 A550 G553 R554
• Binding residue (residue number reindexed from 1): S502 Q503 A504 G507 R508
• Annotation score: 1

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

External links

• PDB: RCSB:4wu3, PDBe:4wu3, PDBj:4wu3
• PDBsum: 4wu3
• UniProt: A3QMF6