Structure of PDB 1r44 Chain A Binding Site BS01

Receptor Information
>1r44 Chain A (length=202) Species: 1352 (Enterococcus faecium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIGFTFLDEIVHGVRWDAKYATWDNFTGKPVDGYEVNRIVGTYELAESL
LKAKELAATQGYGLLLWDGYRPKRAVNCFMQWAAQPENNLTKESYYPNID
RTEMISKGYVASKSSHSRGSAIDLTLYRLDTGELVPMGSRFDFMDERSHH
AANGISCNEAQNRRRLRSIMENSGFEAYSLEWWHYVLRDEPYPNSYFDFP
VK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1r44 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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PDB1r44 The Structure of VanX Reveals a Novel Amino-Dipeptidase Involved in Mediating Transposon-Based Vancomycin Resistance
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H116 D123 H184
Binding residue
(residue number reindexed from 1)		H116 D123 H184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R71 H116 D123 E181 H184
Catalytic site (residue number reindexed from 1) R71 H116 D123 E181 H184
Enzyme Commision number 3.4.13.22: D-Ala-D-Ala dipeptidase.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0016805 dipeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0046677 response to antibiotic
GO:0071555 cell wall organization

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Molecular Function
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Biological Process
External links
PDB RCSB:1r44, PDBe:1r44, PDBj:1r44
PDBsum1r44
PubMed9702193
UniProtQ06241|VANX_ENTFC D-alanyl-D-alanine dipeptidase (Gene Name=vanX)

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