Brand  (β version)

PDB ID: 4B0C

Hetero Atom Contents

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
C9H 5-(pentylsulfanyl)-1h-1,2,4-triazole PoSSuM

Structure summary

Code : 4B0C   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pentylthio)-4H-1,2,4-triazole
Release Data : 2012-11-28
Compound :
mol_id molecule chains synonym
1 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE A,B,C,D,E BETA-HYDROXYDECANOYL THIOESTER DEHYDRASE
ec: 4.2.1.60
Source :
mol_id organism_scientific expression_system
1 PSEUDOMONAS AERUGINOSA  (taxid:287) ESCHERICHIA COLI  (taxid:469008)
strain: PA01
expression_system_strain: BL21(DE3)
expression_system_variant: TUNER
expression_system_vector_type: PLASMID
expression_system_vector: PDEST14
Authors : Moynie, L., McMahon, S.A., Duthie, F.G., Naismith, J.H.
Keywords : LYASE, FATTY ACID BIOSYNTHESIS, BACTERIAL VIRULENCE, DRUG DISCOVERY
Exp. method : X-RAY DIFFRACTION ( 2.70 Å )
Citation :

Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.

Moynie, L.,Leckie, S.M.,Mcmahon, S.A.  et al.
(2013)  J.Mol.Biol.  425 : 365

PubMed: 23174186
DOI: 10.1016/J.JMB.2012.11.017

Reaction

Chain : A, B, C, D, E
UniProt : O33877 (FABA_PSEAE)
Reaction : Reaction=a (3R)-hydroxyacyl-[ACP] = a (2E)-enoyl-[ACP] + H2O; Xref=Rhea:RHEA:13097, Rhea:RHEA-COMP:9925, Rhea:RHEA-COMP:9945, ChEBI:CHEBI:15377, ChEBI:CHEBI:78784, ChEBI:CHEBI:78827; EC=4.2.1.59;
Reaction=(3R)-hydroxydecanoyl-[ACP] = (2E)-decenoyl-[ACP] + H2O; Xref=Rhea:RHEA:41860, Rhea:RHEA-COMP:9638, Rhea:RHEA-COMP:9639, ChEBI:CHEBI:15377, ChEBI:CHEBI:78466, ChEBI:CHEBI:78467;
Reaction=(2E)-decenoyl-[ACP] = (3Z)-decenoyl-[ACP]; Xref=Rhea:RHEA:23568, Rhea:RHEA-COMP:9639, Rhea:RHEA-COMP:9927, ChEBI:CHEBI:78467, ChEBI:CHEBI:78798; EC=5.3.3.14;