Structure of PDB 2gzs Chain A Binding Site BS01

Receptor Information
>2gzs Chain A (length=249) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNIADKGSVFYHFSATSFDSVDGTRHYRVWTAVPNTTAPASGYPILYMLD
GNAVMDRLDDELLKQLSEKTPPVIVAVGYQTNLPFDLNSRAYDYTPAAES
RKTDLHRKSGGSNNFRQLLETRIAPKVEQGLNIDRQRRGLWGHSYGGLFV
LDSWLSSSYFRSYYSASPSLGRGYDALLSRVTAVEPLQFCTKHLAIMEGS
AGVLSKIHTTLTILKDKGVNAVFWDFPNLGHGPMFNASFRQALLDISGE
Ligand information
Ligand IDDFP
InChIInChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
InChIKeyBLKXLEPPVDUHBY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)O[PH](=O)OC(C)C
OpenEye OEToolkits 1.5.0CC(C)OP(=O)OC(C)C
ACDLabs 10.04O=P(OC(C)C)OC(C)C
FormulaC6 H15 O3 P
NameDIISOPROPYL PHOSPHONATE
ChEMBL
DrugBankDB04491
ZINCZINC000100018862
PDB chain2gzs Chain A Residue 1189 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gzs Structural Characterization of Enterobactin Hydrolase IroE.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		R130 S189 Y190 L215 G216 H287
Binding residue
(residue number reindexed from 1)		R90 S144 Y145 L170 G171 H231
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016788 hydrolase activity, acting on ester bonds

View graph for
Molecular Function
External links
PDB RCSB:2gzs, PDBe:2gzs, PDBj:2gzs
PDBsum2gzs
PubMed16922493
UniProtQ6KD95

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