Structure of PDB 8evz Chain A Binding Site BS01

Receptor Information
>8evz Chain A (length=313) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CLDSLLNGTQDPKAFGRVAVLFGGKSAEREVSLKSGAMVLQSLLAAGVDA
FGIDVGEDLLQRLVEEKIDRAFIILHGRGGEDGSMQGLLECAGIPYTGSG
VLASALAMDKLRTKRVWLSLGLPTPDYAVLASEDDCREAAQRLGFPLIVK
PAHEGSSIGMAKVGGLDELIAAWREAARYDSQVLVEQWISGPEFTVATLR
GQVLPAIRLGTPHTFYDYDAKYLASDTRYQVPCGLDEAKERELKELTARA
CDALGIQGWGRADVMQDAEGRFWLLEVNTAPGMTDHSLVPMAARAAGLDF
QQLVLAILADSRE
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 chain8evz Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8evz Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		D266 E279
Binding residue
(residue number reindexed from 1)		D263 E276
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:8evz, PDBe:8evz, PDBj:8evz
PDBsum8evz
PubMed37581574
UniProtQ9LCT6|DDLB_PSEAE D-alanine--D-alanine ligase B (Gene Name=ddlB)

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