2-ethoxyphenol in complex with T4 lysozyme L99A/M102Q

Summary for 3HU8

Related1LGU 3HT6 3HT7 3HT8 3HT9 3HTB 3HTD 3HTF 3HUG 3HU9 3HUA 3HUK 3HUQ
DescriptorLysozyme, PHOSPHATE ION, 2-ethoxyphenol, ... (4 entities in total)
Functional Keywordshydrolase, glycosidase, bacteriolytic enzyme, antimicrobial
Biological sourceEnterobacteria phage T4 (Bacteriophage T4)
Total number of polymer chains1
Total molecular weight18974.42
Boyce, S.E.,Mobley, D.L.,Rocklin, G.J.,Graves, A.P.,Dill, K.A.,Shoichet, B.K. (deposition date: 2009-06-13, release date: 2009-11-03, Last modification date: 2011-07-13)
Primary citation
Boyce, S.E.,Mobley, D.L.,Rocklin, G.J.,Graves, A.P.,Dill, K.A.,Shoichet, B.K.
Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394:747-763, 2009
PubMed: 19782087 (PDB entries with the same primary citation)
DOI: 10.1016/j.jmb.2009.09.049
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2095 1.2% 0.7% 2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21