9I9R

X-ray structure of the drug binding domain of AlbA in complex with the KMR-04-163 compound of the pyrrolobenzodiazepines class

Summary for 9I9R

Entry DOI	10.2210/pdb9i9r/pdb
Descriptor	Albicidin resistance protein, 4-[4-[4-[[(6~{S},6~{a}~{S})-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6~{a},7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-~{N}-(1-benzothiophen-5-yl)-1-methyl-pyrrole-2-carboxamide, 4-[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-~{N}-(1-benzothiophen-5-yl)-1-methyl-pyrrole-2-carboxamide, ... (4 entities in total)
Functional Keywords	drug binding, bacterial resistance, pyrrolobenzodiazepines, dna binding protein, antimicrobial protein
Biological source	Klebsiella oxytoca
Total number of polymer chains	3
Total formula weight	82286.88
Authors	Di Palma, M.,Steiner, R.A. (deposition date: 2025-02-06, release date: 2026-02-18)
Primary citation	Di Palma, M.,Steiner, R.A. X-ray structure of the drug binding domain of AlbA in complex with the KMR-04-161 compound of the pyrrolobenzodiazepines class To Be Published,
Experimental method	X-RAY DIFFRACTION (2.58 Å)

Structure validation