2W6N

Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series

Summary for 2W6N

Related2J9G 2VR1 2V5A 2GPW 1K69 2W6Q 1BNC 2W71 2W6P 2W7C 2V59 2V58 2W6O 2W6Z 1DV1 2W6M 2GPS 2W70 1DV2
DescriptorBIOTIN CARBOXYLASE, 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, CHLORIDE ION, ... (4 entities in total)
Functional Keywordsligase, atp-binding, fatty acid biosynthesis, nucleotide-binding, lipid synthesis, atp-grasp domain, fragment screening
Biological sourceESCHERICHIA COLI
Total number of polymer chains2
Total molecular weight99458.91
Authors
Mochalkin, I.,Miller, J.R. (deposition date: 2008-12-18, release date: 2009-05-19, Last modification date: 2011-07-13)
Primary citation
Mochalkin, I.,Miller, J.R.,Narasimhan, L.S.,Thanabal, V.,Erdman, P.,Cox, P.,Prasad, J.V.,Lightle, S.,Huband, M.,Stover, K.
Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4:473-, 2009
PubMed: 19413326 (PDB entries with the same primary citation)
DOI: 10.1021/CB9000102
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.87 Å)
?

Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers200.7%4.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report