Structure of PDB 4oak Chain A Binding Site BS03

Receptor Information
>4oak Chain A (length=190) Species: 1353 (Enterococcus gallinarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNTLQLINKNHPLKKNQEPPHLVLAPFSDHDVYLQPEVAKQWERLVRATG
LEKDIRLVSGYRTEKEQRRLWEYSLKENGLAYTKQFVALPGCSEHQIGLA
IDVGLKKQEDDDLICPHFRDSAAADLFMQQMMNYGFILRYPEDKQEITGI
SYEPWHFRYVGLPHSQVITAQKWTLEEYHDYLAQTVRQFA
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 chain4oak Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4oak Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F86 A88 S93
Binding residue
(residue number reindexed from 1)		F86 A88 S93
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.22,Ki=59.7uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0008233 peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4oak, PDBe:4oak, PDBj:4oak
PDBsum4oak
PubMed24711382
UniProtQ9JN36

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