Structure of PDB 8evw Chain B Binding Site BS05

Receptor Information
>8evw Chain B (length=326) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLKVAVLFGGSSEERDVSIASGAQVIQALRSAGHQVLAVDTASGLLGAEE
ERRLLASKVKEVPPDSDSLAILSAGELAGVDVFFLALHGGTGEDGTLQAL
LDAGGFAYTGSGHLASAMAMDKDVAKRLFLAAGVETASWLMAPASEEEVR
EQLGFPLVVKPNSQGSTVGLSIVHSQAELQPAIELAGRYGDEVMLERFVA
GREVTVGVLDDQALPVGEILLGGQEVFDYEHKYQAGAVREVFPADLPPAI
AAEAQRLALKVHRALKLSGYSRTDFRLDEQGRLWCLEVNTLPGMTATSLL
PQAAAAAGIGFAELCERICRLGIERC
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8evw Chain B Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8evw Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Resolution1.22 Å
Binding residue
(original residue number in PDB)		D286 E299
Binding residue
(residue number reindexed from 1)		D274 E287
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.4: D-alanine--D-alanine ligase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0008716 D-alanine-D-alanine ligase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8evw, PDBe:8evw, PDBj:8evw
PDBsum8evw
PubMed37581574
UniProtQ9HWI0|DDLA_PSEAE D-alanine--D-alanine ligase A (Gene Name=ddlA)

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