Structure of PDB 9emu Chain C Binding Site BS02

Receptor Information
>9emu Chain C (length=227) Species: 348043 (Streptomyces davaonensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHPQFEKIEGRMSDGRESFLEVMRSVYERYLVGVPGVSEVWLIRHADSYT
GLEDYDGDPRDPALSEKGRAQARLLAARLAGVPLHGVWASGAHRAQQTAS
AVAAEHGLRVRTDARLREVRTNWDDGRPSELKPHGVYPFPEPEKEVAERM
RTAVTAAVAATPPAPDGTTRVAVVGHDSALVILMGSLMNLGWGQLDMILP
LTSVSVLAVKDERMVVRSIGDATHLAA
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 C 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 R83 E107 H165 D166
Binding residue
(residue number reindexed from 1)		R44 H45 R94 E118 H176 D177
Annotation score3
External links