5tz9 | pdb_00005tz9

Structure of plasma kallikrein protease domain with inhibitor

spinqualitylabelsall models 5tz9, resolution 1.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5tz9 is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 7SD Activity: Plasma kallikrein, with EC number 3.4.21.34 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Disease [KLKB1_HUMAN] Defects in KLKB1 are the cause of prekallikrein deficiency (PKK deficiency) [MIM:612423]; also known as Fletcher factor deficiency. This disorder is a blood coagulation defect. Function [KLKB1_HUMAN] The enzyme cleaves Lys-Arg and Arg-Ser bonds. It activates, in a reciprocal reaction, factor XII after its binding to a negatively charged surface. It also releases bradykinin from HMW kininogen and may also play a role in the renin-angiotensin system by converting prorenin into renin. Publication Abstract from PubMed A series of macrocyclic analogues were designed and synthesized based on the cocrystal structure of small molecule plasma kallikrein (pKal) inhibitor, 2, with the pKal protease domain. This led to the discovery of a potent macrocyclic pKal inhibitor 29, with an IC50 of 2 nM for one olefinic isomer and 42.3 nM for the other olefinic isomer. Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.,Li Z, Partridge J, Silva-Garcia A, Rademacher P, Betz A, Xu Q, Sham H, Hu Y, Shan Y, Liu B, Zhang Y, Shi H, Xu Q, Ma X, Zhang L ACS Med Chem Lett. 2016 Dec 6;8(2):185-190. doi: 10.1021/acsmedchemlett.6b00384. , eCollection 2017 Feb 9. PMID:28197309 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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