Structure of PDB 3txt Chain A Binding Site BS01

Receptor Information
>3txt Chain A (length=175) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTH
ALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQK
FSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGW
FDLMANGAHIAGLAVGLAMAFVDSL
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 chain3txt Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3txt The crystal structure of rhomboid protease GlpG in complex with a mechanism-based inhibitor
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H150 G199 S201
Binding residue
(residue number reindexed from 1)		H59 G108 S110
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.105: rhomboid protease.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3txt, PDBe:3txt, PDBj:3txt
PDBsum3txt
PubMed
UniProtP09391|GLPG_ECOLI Rhomboid protease GlpG (Gene Name=glpG)

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