Brand  (β version)

PDB ID: 6B2Q

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Ligands
Code Name Style Show Link
CJJ 5-{5-chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide PoSSuM
0BD 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside PoSSuM
Non-standard Residues
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TPO Phosphothreonine
Glycosylation
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Structure summary

Code : 6B2Q   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/INHIBITOR
Title : Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
Release Data : 2018-02-14
Compound :
mol_id molecule chains
1 Serine/threonine-protein kinase PknA A,B,C,D
ec: 2.7.11.1
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis  (taxid:1773) Escherichia coli  (taxid:562)
gene: pknA
Authors : Zuccola, H.J.
Keywords : kinase, drug design, tuberculosis, TRANSFERASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.88 Å )
Citation :

Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.

Wang, T.,Bemis, G.,Hanzelka, B.  et al.
(2017)  ACS Med Chem Lett  8 : 1224 - 1229

PubMed: 29259738
DOI: 10.1021/acsmedchemlett.7b00239

Reaction

Chain : A, B, C, D
UniProt : A5TY85 (PKNA_MYCTA)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 PubMed:11856348, PubMed:17068335, PubMed:18557704
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.1 PubMed:11856348, PubMed:17068335, PubMed:18557704
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