Calcium in PDB 7kev: PCSK9 in Complex with A Cyclic Peptide Ldlr Disruptor

The structure of PCSK9 in Complex with A Cyclic Peptide Ldlr Disruptor, PDB code: 7kev was solved by G.Spraggon, R.Chopra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.64 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.225, 70.441, 149.257, 90, 90, 90
R / Rfree (%)	22.6 / 28

The binding sites of Calcium atom in the PCSK9 in Complex with A Cyclic Peptide Ldlr Disruptor (pdb code 7kev). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the PCSK9 in Complex with A Cyclic Peptide Ldlr Disruptor, PDB code: 7kev:

Calcium binding site 1 out of 1 in the PCSK9 in Complex with A Cyclic Peptide Ldlr Disruptor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of PCSK9 in Complex with A Cyclic Peptide Ldlr Disruptor within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca801 b:79.7 occ:1.00 OD2 B:ASP360 2.8 44.3 1.0 O B:VAL333 3.1 43.8 1.0 O B:CYS358 3.2 45.0 1.0 O B:HOH912 3.3 46.4 1.0 OG1 B:THR335 3.4 44.0 1.0 CG B:ASP360 3.5 44.4 1.0 OD1 B:ASP360 3.6 44.3 1.0 O B:ALA330 3.9 40.1 1.0 C B:CYS358 4.1 44.2 1.0 CB B:THR335 4.1 42.8 1.0 O B:ALA328 4.1 42.1 1.0 C B:VAL333 4.3 43.1 1.0 N B:THR335 4.3 43.4 1.0 CA B:CYS358 4.4 45.5 1.0 CG2 B:VAL333 4.7 43.5 1.0 CA B:THR335 4.9 42.2 1.0 CB B:CYS358 4.9 45.0 1.0 CB B:ASP360 4.9 42.9 1.0 N B:VAL333 5.0 42.3 1.0

M.E.Brousseau, K.B.Clairmont, G.Spraggon, A.N.Flyer, A.A.Golosov, P.Grosche, J.Amin, J.Andre, D.Burdick, S.Caplan, G.Chen, R.Chopra, L.Ames, D.Dubiel, L.Fan, R.Gattlen, D.Kelly-Sullivan, A.W.Koch, I.Lewis, J.Li, E.Liu, D.Lubicka, A.Marzinzik, K.Nakajima, D.Nettleton, J.Ottl, M.Pan, T.Patel, L.Perry, S.Pickett, J.Poirier, P.C.Reid, X.Pelle, M.Seepersaud, V.Subramanian, V.Vera, M.Xu, L.Yang, Q.Yang, J.Yu, G.Zhu, L.G.Monovich. Identification of A PCSK9-Ldlr Disruptor Peptide with in Vivo Function. Cell Chem Biol 2021.
ISSN: ESSN 2451-9456
PubMed: 34547225
DOI: 10.1016/J.CHEMBIOL.2021.08.012