Structure of PDB 3c03 Chain A Binding Site BS01

Receptor Information
>3c03 Chain A (length=97) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSLANNIKKSTVIVKNATHIAICLYYKLGETPLPLVIETGKDAKALQIIK
LAELYDIPVIEDIPLARSLYKNIHKGQYITEDFFEPVAQLIRIAIDL
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain3c03 Chain A Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c03 Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y316 K317 H320
Binding residue
(residue number reindexed from 1)		Y70 K71 H74
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0009306 protein secretion
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:3c03, PDBe:3c03, PDBj:3c03
PDBsum3c03
PubMed18451864
UniProtQ9AJ26

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