4r7b | pdb_00004r7b

Crystal structure of pneumococcal LicA in complex with choline

spinqualitylabelsall models 4r7b, resolution 2.01Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4r7b is a 2 chain structure with sequence from Streptococcus pneumoniae. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.01Å Ligands: CHT Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q8DPI4_STRR6 Publication Abstract from PubMed LicA plays a key role in the cell-wall phosphorylcholine biosynthesis of Streptococcus pneumonia. Here we determined the crystal structures of apo-form LicA at 1.94 A and two complex forms LicA-choline and LicA-AMP-MES, at 2.01 and 1.45 A resolution, respectively. The overall structure adopts a canonical protein kinase-like fold, with the active site located in the crevice of the N- and C-terminal domains. The three structures present distinct poses of the active site, which undergoes an open-closed-open conformational change upon substrate binding and product release. The structure analyses combined with mutageneses and enzymatic assays enabled us to figure out the key residues for the choline kinase activity of LicA. In addition, structural comparison revealed the loop between helices alpha7 and alpha8 might modulate the substrate specificity and catalytic activity. These findings shed light on the structure and mechanism of the prokaryotic choline kinase LicA, and might direct the rational design of novel anti-pneumococcal drugs. Structural and enzymatic characterization of the choline kinase LicA from Streptococcus pneumoniae.,Wang L, Jiang YL, Zhang JR, Zhou CZ, Chen Y PLoS One. 2015 Mar 17;10(3):e0120467. doi: 10.1371/journal.pone.0120467., eCollection 2015. PMID:25781969 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Choline kinase 3D structures

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