Structure of PDB 5zhw Chain A Binding Site BS02

Receptor Information
>5zhw Chain A (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 chain5zhw Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zhw Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		W179 S186 H188 E238
Binding residue
(residue number reindexed from 1)		W92 S99 H101 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:5zhw, PDBe:5zhw, PDBj:5zhw
PDBsum5zhw
PubMed30016658
UniProtQ47746|VANY_ENTFA D-alanyl-D-alanine carboxypeptidase (Gene Name=vanYB)

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