Ligand bound to a model peptide that mimics the open fusogenic form

Summary for 2KP8

DescriptorModel peptide, 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid (2 entities in total)
Functional Keywordsprotein/ligand, unknown function
Biological sourceEscherichia coli
Total number of polymer chains3
Total molecular weight25057
Olejniczak, E.T. (deposition date: 2009-10-09, release date: 2010-01-19, Last modification date: 2011-07-13)
Primary citation
Stewart, K.D.,Huth, J.R.,Ng, T.I.,McDaniel, K.,Hutchinson, R.N.,Stoll, V.S.,Mendoza, R.R.,Matayoshi, E.D.,Carrick, R.,Mo, H.,Severin, J.,Walter, K.,Richardson, P.L.,Barrett, L.W.,Meadows, R.,Anderson, S.,Kohlbrenner, W.,Maring, C.,Kempf, D.J.,Molla, A.,Olejniczak, E.T.
Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 2009
PubMed: 20004576 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2009.11.076
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers00.8%8.0%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures
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