Structure of PDB 4b0b Chain A

Receptor sequence

>4b0bA (length=170) Species: 287 (Pseudomonas aeruginosa)

TKQHAFTREDLLRCSRGELFGPGNAQLPAPNMLMIDRIVHISDVGGKYGK
GELVAELDINPDLWFFACHFEGDPVMPGCLGLDAMWQLVGFYLGWQGNPG
RGRALGSGEVKFFGQVLPTAKKVTYNIHIKRTINRSLVLAIADGTVSVDG
REIYSAEGLRVGLFTSTDSF

3D structure

• PDB: 4b0b Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
• Chain: A
• Resolution: 1.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H70 V76 G79 C80 D84
• Catalytic site (residue number reindexed from 1): H69 V75 G78 C79 D83
• Enzyme Commision number: 4.2.1.59: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase.
  5.3.3.14: trans-2-decenoyl-[acyl-carrier-protein] isomerase.

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	54F	A	W87 Q88 G103 R104 A105	W86 Q87 G102 R103 A104	PDBbind-CN: -logKd/Ki=3.33,Kd=0.47mM
BS02	54F	A	V76 M77	V75 M76	PDBbind-CN: -logKd/Ki=3.33,Kd=0.47mM

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0016853 isomerase activity
• GO:0019171 (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
• GO:0034017 trans-2-decenoyl-acyl-carrier-protein isomerase activity

Biological Process

• GO:0006633 fatty acid biosynthetic process
• GO:0006636 unsaturated fatty acid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4b0b, PDBe:4b0b, PDBj:4b0b
• PDBsum: 4b0b
• PubMed: 23174186
• UniProt: O33877|FABA_PSEAE 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase (Gene Name=fabA)