GH51 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor

This is a large structure.

Summary for 6SXU

DescriptorIntracellular exo-alpha-(1->5)-L-arabinofuranosidase, [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate, DI(HYDROXYETHYL)ETHER, ... (6 entities in total)
Functional Keywordscovalent complex, arabinofuranosidase, gh51, geobacillus, hydrolase
Biological sourceGeobacillus stearothermophilus
Total number of polymer chains2
Total molecular weight115773.08
McGregor, N.G.S.,Davies, G.J. (deposition date: 2019-09-26, release date: 2020-02-26, Last modification date: 2020-03-18)
Primary citation
McGregor, N.G.S.,Artola, M.,Nin-Hill, A.,Linzel, D.,Haon, M.,Reijngoud, J.,Ram, A.,Rosso, M.N.,van der Marel, G.A.,Codee, J.D.C.,van Wezel, G.P.,Berrin, J.G.,Rovira, C.,Overkleeft, H.S.,Davies, G.J.
Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142:4648-4662, 2020
PubMed: 32053363 (PDB entries with the same primary citation)
DOI: 10.1021/jacs.9b11351
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.1685 0.3% 1.6% 2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload