3KYR

Bace-1 in complex with a norstatine type inhibitor

Summary for 3KYR

• Entry DOI: 10.2210/pdb3kyr/pdb
• Related: 3DM6 3IXJ 3IXK
• Related PRD ID: PRD_001038
• Descriptor: Beta-secretase 1, 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid (3 entities in total)
• Functional Keywords: bace, beta-secretase, memapsin-2, aspartyl protease, inhibitor, norstatine, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 3
• Total formula weight: 137963.03

Authors

Lindberg, J.D.,Borkakoti, N.,Derbyshire, D.,Nystrom, S. (deposition date: 2009-12-07, release date: 2010-12-29, Last modification date: 2023-09-06)

• Primary citation: Wangsell, F.,Nordeman, P.,Savmarker, J.,Emanuelsson, R.,Jansson, K.,Lindberg, J.,Rosenqvist, A.,Samuelsson, B.,Larhed, M.; Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs; To be Published,

Experimental method

X-RAY DIFFRACTION (2.6 Å)