Structure of PDB 5c16 Chain A Binding Site BS01

Receptor Information
>5c16 Chain A (length=487) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APLFPGESIKAIVKDVMYICPFMGAVSGTLTVTDFKLYFKNVHFILDVPL
GVISRVEKIGIEIVCKDMRNLRLAYLGIFENLNKHAFPLSNGQALFAFSY
KEKFPINGWKVYDPVSEYKRQGLPNESWKISKINSNYEFCDTYPAIIVVP
TSVKDDDLSKVAAFRAKGRVPVLSWIHPESQATITRCSQPLVGPNDKRCK
EDEKYLQTIMDANAQSHKLIIFDARQNSVADTNKTKGGGYESESAYPNAE
LVFLEIHNIHVMRESLRKLKEIVYPSIDEARWLSNVDGTHWLEYIRMLLA
GAVRIADKIESGKTSVVVHSSDGWDRTAQLTSLAMLMLDSYYRTIKGFET
LVEKEWISFGHRFALRVGHGNDNHADADRSPIFLQFVDCVWQMTRQFPSA
FEFNELFLITILDHLYSCLFGTFLCNCEQQRFKEDVYTKTISLWSYINSQ
LDEFSNPFFVNYENHVLYPVASLSHLELWVNYYVRWN
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 chain5c16 Chain A 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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PDB5c16 Crystal Structure of Human Myotubularin-Related Protein 1 Provides Insight into the Structural Basis of Substrate Specificity
Resolution2.07 Å
Binding residue
(original residue number in PDB)		S438 S439 G441 D443 R444
Binding residue
(residue number reindexed from 1)		S320 S321 G323 D325 R326
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.64: phosphatidylinositol-3-phosphatase.
3.1.3.95: phosphatidylinositol-3,5-bisphosphate 3-phosphatase.
Gene Ontology
Molecular Function
GO:0052866 phosphatidylinositol phosphate phosphatase activity
Biological Process
GO:0046856 phosphatidylinositol dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5c16, PDBe:5c16, PDBj:5c16
PDBsum5c16
PubMed27018598
UniProtQ13613|MTMR1_HUMAN Myotubularin-related protein 1 (Gene Name=MTMR1)

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