1BXO

ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE

Summary for 1BXO

DescriptorPROTEIN (PENICILLOPEPSIN), ALPHA-D-MANNOSE, SULFATE ION, ... (6 entities in total)
Functional Keywordshydrolase, phosphonate inhibitors, macrocycle
Biological sourcePenicillium janthinellum
Total number of polymer chains1
Total molecular weight34748.06
Authors
Khan, A.R.,Parrish, J.C.,Fraser, M.E.,Smith, W.W.,Bartlett, P.A.,James, M.N.G. (deposition date: 1998-10-07, release date: 1998-10-14, Last modification date: 2011-07-13)
Primary citation
Khan, A.R.,Parrish, J.C.,Fraser, M.E.,Smith, W.W.,Bartlett, P.A.,James, M.N.
Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37:16839-16845, 1998
PubMed: 9836576 (PDB entries with the same primary citation)
DOI: 10.1021/bi9821364
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (0.95 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers80.3%2.3%0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution