Brand  (β version)

PDB ID: 4GKI

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Ligands
Code Name Style Show Link
KAN Kanamycin a PoSSuM
0JN 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-D]pyrimidin-4-amine PoSSuM
NA Sodium ion PoSSuM
CL Chloride ion PoSSuM
ACT Acetate ion PoSSuM
PEG Di(hydroxyethyl)ether PoSSuM
Non-standard Residues
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MSE Selenomethionine
Glycosylation
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Structure summary

Code : 4GKI   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1
Release Data : 2012-09-05
Compound :
mol_id molecule chains
1 Aminoglycoside 3'-phosphotransferase AphA1-IAB A,B,C,D,E,F,G,H,I,J,K,L
ec: 2.7.1.95
Source :
mol_id organism_scientific expression_system
1 Acinetobacter baumannii  (taxid:509173) Escherichia coli  (taxid:469008)
strain: AYE
gene: ABAYE3578, APHA1-IAB
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: P15TV LIC
Authors : Stogios, P.J., Evdokimova, E., Wawrzak, Z., Minasov, G., Egorova, O., Di Leo, R., Shakya, T., Spanogiannopoulos, P., Todorovic, N., Capretta, A., Wright, G.D., Savchenko, A., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)
Keywords : PYRAZOLOPYRIMIDINE, 1-NM-PP1, BUMPED KINASE INHIBITOR, BKI, PROTEIN KINASE INHIBITOR, CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES, CSGID, NIAID, NATIONAL INSTITUTE OF ALLERGY AND INFECTIOUS DISEASES, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX, EUKARYOTIC PROTEIN KINASE-LIKE FOLD, ALPHA/BETA PROTEIN, TRANSFERASE, PHOSPHOTRANSFERASE, AMINOGLYCOSIDE PHOSPHOTRANSFERASE, ANTIBIOTIC RESISTANCE, AMINOGLYCOSIDES, KANAMYCIN, GTP, INTRACELLULAR
Exp. method : X-RAY DIFFRACTION ( 1.880 Å )
Citation :

Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.

Stogios, P.J.,Spanogiannopoulos, P.,Evdokimova, E.  et al.
(2013)  Biochem.J.  454 : 191 - 200

PubMed: 23758273
DOI: 10.1042/BJ20130317

Reaction

Chain : A, B, C, D, E, F, G, H, I, J, K, L
UniProt : B0VD92
Reaction : -