Calcium in PDB 4ne9: PCSK9 in Complex with Ldlr Peptide

The structure of PCSK9 in Complex with Ldlr Peptide, PDB code: 4ne9 was solved by S.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.02 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	126.398, 131.392, 134.634, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 21.1

The binding sites of Calcium atom in the PCSK9 in Complex with Ldlr Peptide (pdb code 4ne9). 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 Ldlr Peptide, PDB code: 4ne9:

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


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 Ldlr Peptide within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:74.8 occ:1.00 O D:LEU19 2.5 55.4 1.0 OD1 D:ASP18 2.5 66.5 1.0 O D:GLY22 2.7 67.6 1.0 O D:THR2 2.8 77.9 1.0 OE1 D:GLU4 2.8 92.9 1.0 CG D:ASP18 3.6 63.8 1.0 C D:GLY22 3.6 69.2 1.0 C D:LEU19 3.7 57.7 1.0 CD D:GLU4 3.8 95.7 1.0 N D:GLY22 3.8 60.8 1.0 OE2 D:GLU4 3.9 88.0 1.0 O D:LYS20 4.0 62.2 1.0 CA D:GLY22 4.0 62.0 1.0 N D:LEU19 4.0 54.6 1.0 C D:THR2 4.0 78.8 1.0 OD2 D:ASP18 4.2 71.5 1.0 C D:LYS20 4.4 62.8 1.0 CA D:LEU19 4.4 52.6 1.0 C D:ASP18 4.4 58.9 1.0 C D:ILE21 4.6 64.2 1.0 CA D:ASP18 4.7 55.4 1.0 N D:LYS20 4.7 56.9 1.0 CB D:ASP18 4.7 57.1 1.0 N D:TYR23 4.8 66.6 1.0 CA D:ASN3 4.8 65.9 1.0 CA D:LYS20 4.8 57.9 1.0 N D:ASN3 4.9 69.1 1.0 N D:GLU4 4.9 62.6 1.0 N D:ILE21 4.9 60.8 1.0 N D:THR2 5.0 83.8 1.0

C.I.Schroeder, J.E.Swedberg, J.M.Withka, K.J.Rosengren, M.Akcan, D.J.Clayton, N.L.Daly, O.Cheneval, K.A.Borzilleri, M.Griffor, I.Stock, B.Colless, P.Walsh, P.Sunderland, A.Reyes, R.Dullea, M.Ammirati, S.Liu, K.F.Mcclure, M.Tu, S.K.Bhattacharya, S.Liras, D.A.Price, D.J.Craik. Design and Synthesis of Truncated Egf-A Peptides That Restore Ldl-R Recycling in the Presence of PCSK9 in Vitro. Chem.Biol. V. 21 284 2014.
ISSN: ISSN 1074-5521
PubMed: 24440079
DOI: 10.1016/J.CHEMBIOL.2013.11.014