2xk1

Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitorCrystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor

Structural highlights 2xk1 is a 4 chain structure with sequence from Actinomadura sp.. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: , , Related: 2xdm, 1w79, 2wke, 1w8q, 2vgj, 1w8y, 2vgk Activity: Serine-type D-Ala-D-Ala carboxypeptidase, with EC number 3.4.16.4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [DAC_ACTSP] Removes C-terminal D-alanyl residues from sugar-peptide cell wall precursors. Publication Abstract from PubMed Following from the evaluation of different types of electrophiles, combined modeling and crystallographic analyses are used to generate potent boronic acid based inhibitors of a penicillin binding protein. The results suggest that a structurally informed approach to penicillin binding protein inhibition will be useful for the development of both improved reversibly binding inhibitors, including boronic acids, and acylating inhibitors, such as beta-lactams. Structure guided development of potent reversibly binding penicillin binding protein inhibitors.,Woon EC, Zervosen A, Sauvage E, Simmons KJ, Zivec M, Inglis SR, Fishwick CW, Gobec S, Charlier P, Luxen A, Schofield CJ ACS Med Chem Lett. 2011 Jan 11;2(3):219-23. doi: 10.1021/ml100260x. eCollection, 2011 Mar 10. PMID:24900305 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Penicillin-binding protein

spinqualitylabelsall models 2xk1, resolution 2.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image