Structure of PDB 2i80 Chain A

Receptor sequence
>2i80A (length=345) Species: 1280 (Staphylococcus aureus) [Search protein sequence]
KENICIVFGGKSAEHEVSILTAQNVLNAIDKDKYHVDIIYITNDGDWRKQ
NNITAEIKSTDELHLENGEALEISQLLKESSSGQPYDAVFPLLHGPNGED
GTIQGLFEVLDVPYVGNGVLSAASSMDKLVMKQLFEHRGLPQLPYISFLR
SEYEKYEHNILKLVNDKLNYPVFVKPANLGSSVGISKCNNEAELKEGIKE
AFQFDRKLVIEQGVNAREIEVAVLGNDYPEATWPGEVVKDVAFVQLQIPA
DLDEDVQLTLRNMALEAFKATDCSGLVRADFFVTEDNQIYINETNAMPGF
TAFSMYPKLWENMGLSYPELITKLIELAKERHQDKQKNKYKIDRS
3D structure
PDB2i80 Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
ChainA
Resolution2.19 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) E16 V19 L22 H96 S183 R291 D293 E306 N308 G312 F316
Catalytic site (residue number reindexed from 1) E14 V17 L20 H94 S181 R278 D280 E293 N295 G299 F303
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 G1L A P93 L94 L95 H96 V117 L289 M310 P311 G312 F313 P91 L92 L93 H94 V115 L276 M297 P298 G299 F300 MOAD: Ki=4uM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2i80, PDBe:2i80, PDBj:2i80
PDBsum2i80
PubMed17015835
UniProtQ5HEB7|DDL_STAAC D-alanine--D-alanine ligase (Gene Name=ddl)

[Back to BioLiP]