Brand  (β version)

PDB ID: 3U17

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Ligands
Code Name Style Show Link
H90 6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-B]pyridine-4-carboxylic acid PoSSuM
CA Calcium ion PoSSuM
MPD (4s)-2-methyl-2,4-pentanediol PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3U17   PDBj   RCSB PDB   PDBe
Header : LIGASE
Title : Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(P-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-B]pyridine-4-carboxylic acid
Release Data : 2012-10-03
Compound :
mol_id molecule chains
1 Peptide arylation enzyme A,B
ec: 6.2.1.-
mutation: P45L
Source :
mol_id organism_scientific expression_system
1 Acinetobacter baumannii  (taxid:405416) Escherichia coli  (taxid:469008)
strain: Strain AB900
gene: ACICU_02578, basE
expression_system_strain: BL21(DE3)
expression_system_vector_type: pET15bTEV
Authors : Gulick, A.M., Drake, E.J., Aldrich, C.C., Neres, J.
Keywords : ANL Superfamily, adenylating enzyme, 2, 3-dihydroxybenzoate:Aryl Carrier protein ligase, BasF, LIGASE
Exp. method : X-RAY DIFFRACTION ( 2.100 Å )
Citation :

Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii.

Neres, J.,Engelhart, C.A.,Drake, E.J.  et al.
(2013)  J.Med.Chem.  56 : 2385 - 2405

PubMed: 23437866
DOI: 10.1021/jm301709s

Reaction

Chain : A, B
UniProt : B2HVG8
Reaction : -