Structure of PDB 8evw Chain B

Receptor sequence

>8evwB (length=326) Species: 208964 (Pseudomonas aeruginosa PAO1)

KLKVAVLFGGSSEERDVSIASGAQVIQALRSAGHQVLAVDTASGLLGAEE
ERRLLASKVKEVPPDSDSLAILSAGELAGVDVFFLALHGGTGEDGTLQAL
LDAGGFAYTGSGHLASAMAMDKDVAKRLFLAAGVETASWLMAPASEEEVR
EQLGFPLVVKPNSQGSTVGLSIVHSQAELQPAIELAGRYGDEVMLERFVA
GREVTVGVLDDQALPVGEILLGGQEVFDYEHKYQAGAVREVFPADLPPAI
AAEAQRLALKVHRALKLSGYSRTDFRLDEQGRLWCLEVNTLPGMTATSLL
PQAAAAAGIGFAELCERICRLGIERC

3D structure

• PDB: 8evw Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
• Chain: B
• Resolution: 1.22 Å

Enzymatic activity

• Enzyme Commision number: 6.3.2.4: D-alanine--D-alanine ligase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ATP	B	K134 V170 K172 G177 S178 T179 L182 E208 F210 V211 E215 V238 F239 K244 D286 R288 L298 E299	K122 V158 K160 G165 S166 T167 L170 E196 F198 V199 E203 V226 F227 K232 D274 R276 L286 E287
BS02	DAL	B	E18 H100 Y245 R284 G305	E14 H88 Y233 R272 G293
BS03	DAL	B	K244 Y245 G305 S310 L311	K232 Y233 G293 S298 L299
BS04	MG	B	E299 N301	E287 N289
BS05	MG	B	D286 E299	D274 E287

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

External links

• PDB: RCSB:8evw, PDBe:8evw, PDBj:8evw
• PDBsum: 8evw
• PubMed: 37581574
• UniProt: Q9HWI0|DDLA_PSEAE D-alanine--D-alanine ligase A (Gene Name=ddlA)