Structure of PDB 6a6a Chain B Binding Site BS01

Receptor Information
>6a6a Chain B (length=181) Species: 226185 (Enterococcus faecalis V583) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWSLILVNRQNPIPAQYDVELEQLSNGERIDIRISPYLQDLFDAARADGV
YPIVASGYRTTEKQQEIMDEKVAEYKAKGYTSAQAKAEAETWVAVPGTSE
HQLGLAVDINADGIHSTGNEVYRWLDENSYRFGFIRRYPPDKTEITGVSN
EPWHYRYVGIEAATKIYHQGLCLEEYLNTEK
Ligand information
Ligand IDDAL
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKeyQNAYBMKLOCPYGJ-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
CACTVS 3.341C[C@@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)N
FormulaC3 H7 N O2
NameD-ALANINE
ChEMBLCHEMBL66693
DrugBankDB01786
ZINCZINC000004658556
PDB chain6a6a Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a6a Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		Q151 W179 V180 A181 S186 Y225 E238
Binding residue
(residue number reindexed from 1)		Q64 W92 V93 A94 S99 Y138 E151
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.17.-
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6a6a, PDBe:6a6a, PDBj:6a6a
PDBsum6a6a
PubMed30016658
UniProtQ47746|VANY_ENTFA D-alanyl-D-alanine carboxypeptidase (Gene Name=vanYB)

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