Structure of PDB 9emu Chain D Binding Site BS03

Receptor Information
>9emu Chain D (length=222) Species: 348043 (Streptomyces davaonensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSDGRESFLEVMRSVYERYLVGVPGVSEVWLIRHADSYTGLEDYDGDPRD
PALSEKGRAQARLLAARLAGVPLHGVWASGAHRAQQTASAVAAEHGLRVR
TDARLREVRTNWDDGRPSELKPHGVYPFPEPEKEVAERMRTAVTAAVAAT
PPAPDGTTRVAVVGHDSALVILMGSLMNLGWGQLDMILPLTSVSVLAVKD
ERMVVRSIGDATHLAAAPSDVI
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 chain9emu Chain D Residue 302 [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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PDB9emu The Phosphatase RosC from Streptomyces davaonensis is Used for Roseoflavin Biosynthesis and has Evolved to Largely Prevent Dephosphorylation of the Important Cofactor Riboflavin-5'-phosphate.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		R33 H34 Y38 R83 E107 H165 D166
Binding residue
(residue number reindexed from 1)		R33 H34 Y38 R83 E107 H165 D166
Annotation score3
External links