6B88

E. coli LepB in complex with GNE0775 ((4S,7S,10S)-10-((S)-4-amino-2-(2-(4-(tert-butyl)phenyl)-4-methylpyrimidine-5-carboxamido)-N-methylbutanamido)-16,26-bis(2-aminoethoxy)-N-(2-iminoethyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-carboxamide)

Summary for 6B88

• Entry DOI: 10.2210/pdb6b88/pdb
• Descriptor: Signal peptidase I, (8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide, PENTAETHYLENE GLYCOL, ... (4 entities in total)
• Functional Keywords: signal peptidase, sbdd, antibiotic, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Escherichia coli (strain K12)
• Total number of polymer chains: 2
• Total formula weight: 57495.06

Authors

Murray, J.M.,Rouge, L. (deposition date: 2017-10-05, release date: 2018-10-10, Last modification date: 2023-10-04)

• Primary citation: Smith, P.A.,Koehler, M.F.T.,Girgis, H.S.,Yan, D.,Chen, Y.,Chen, Y.,Crawford, J.J.,Durk, M.R.,Higuchi, R.I.,Kang, J.,Murray, J.,Paraselli, P.,Park, S.,Phung, W.,Quinn, J.G.,Roberts, T.C.,Rouge, L.,Schwarz, J.B.,Skippington, E.,Wai, J.,Xu, M.,Yu, Z.,Zhang, H.,Tan, M.W.,Heise, C.E.; Optimized arylomycins are a new class of Gram-negative antibiotics.; Nature, 561:189-194, 2018; PubMed: 30209367; DOI: 10.1038/s41586-018-0483-6

Experimental method

X-RAY DIFFRACTION (2.407 Å)