Calcium in PDB 6u2f: PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2

The structure of PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2, PDB code: 6u2f was solved by M.H.Ultsch, D.Kirchhofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.37 / 2.94
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	110.569, 142.740, 239.287, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.9

The binding sites of Calcium atom in the PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2 (pdb code 6u2f). 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-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2, PDB code: 6u2f:

Calcium binding site 1 out of 1 in the PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:87.1 occ:1.00 O A:GLN554 2.6 42.5 1.0 O A:CYS552 2.6 42.4 1.0 O A:HIS557 2.8 42.7 1.0 HA A:GLN555 3.4 46.0 1.0 C A:GLN554 3.4 44.2 1.0 H A:HIS557 3.5 45.5 1.0 H A:GLY556 3.8 47.3 1.0 C A:CYS552 3.8 42.1 1.0 C A:HIS557 3.9 44.9 1.0 HB2 A:CYS552 4.1 42.2 1.0 N A:HIS557 4.1 45.6 1.0 N A:GLN554 4.1 35.3 1.0 C A:HIS553 4.2 39.8 1.0 CA A:GLN555 4.2 46.0 1.0 N A:GLN555 4.2 44.0 1.0 HB2 A:HIS557 4.2 42.8 1.0 N A:GLY556 4.3 47.4 1.0 O A:HIS553 4.3 42.3 1.0 HB3 A:CYS552 4.3 41.5 1.0 CA A:GLN554 4.4 37.6 1.0 H A:GLN554 4.4 35.2 1.0 HA A:HIS553 4.4 36.2 1.0 OE1 A:GLN555 4.4 84.0 1.0 HA A:VAL558 4.5 41.2 1.0 CA A:HIS557 4.5 44.5 1.0 C A:GLN555 4.6 49.7 1.0 CB A:CYS552 4.6 41.9 1.0 N A:HIS553 4.6 37.0 1.0 CA A:HIS553 4.7 36.2 1.0 CA A:CYS552 4.8 40.2 1.0 HB2 A:GLN554 4.9 37.9 1.0 C A:GLY556 4.9 50.7 1.0 CB A:HIS557 4.9 43.2 1.0 N A:VAL558 5.0 42.0 1.0

D.J.Burdick, N.J.Skelton, M.Ultsch, M.H.Beresini, C.Eigenbrot, W.Li, Y.Zhang, H.Nguyen, M.Kong-Beltran, J.G.Quinn, D.Kirchhofer. Design of Organo-Peptides As Bipartite PCSK9 Antagonists. Acs Chem.Biol. 2020.
ISSN: ESSN 1554-8937
PubMed: 31962046
DOI: 10.1021/ACSCHEMBIO.9B00899