Mercury in PDB 2p4e: Crystal Structure of PCSK9

The structure of Crystal Structure of PCSK9, PDB code: 2p4e was solved by D.Cunningham, D.E.Danley, F.K.Geoghegan, M.C.Griffor, J.L.Hawkins, X.Qiu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.00 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.810, 70.670, 150.020, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25

The binding sites of Mercury atom in the Crystal Structure of PCSK9 (pdb code 2p4e). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Crystal Structure of PCSK9, PDB code: 2p4e:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Crystal Structure of PCSK9


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of PCSK9 within 5.0Å range: probe atom residue distance (Å) B Occ P:Hg693 b:26.0 occ:0.20 HG P:HG694 1.9 35.2 0.2 O A:HOH768 2.1 35.1 1.0 O A:HOH876 2.2 39.1 1.0 CA P:CYS67 3.1 26.4 1.0 CB P:CYS67 3.1 26.9 1.0 OG P:SER147 3.2 25.0 1.0 SG P:CYS67 3.3 29.1 1.0 O A:TYR293 3.3 23.6 1.0 N P:CYS67 3.3 25.5 1.0 O A:HOH747 3.7 33.2 1.0 CB P:SER147 3.9 22.4 1.0 O P:HOH707 3.9 30.8 1.0 C P:ARG66 4.1 24.0 1.0 O P:HOH698 4.2 27.0 1.0 OE1 P:GLU144 4.2 29.4 1.0 C A:TYR293 4.3 23.3 1.0 C P:CYS67 4.5 26.3 1.0 O A:GLY292 4.5 22.9 1.0 O P:ARG66 4.6 23.2 1.0 O A:HOH878 4.6 45.6 1.0 C A:GLY292 4.7 23.6 1.0 CA A:SER294 4.7 21.9 1.0 O P:HOH723 4.7 37.7 1.0 CB A:SER294 4.8 21.7 1.0 CA P:ARG66 4.9 22.9 1.0 N P:ALA68 4.9 27.6 1.0 CD P:GLU144 4.9 26.5 1.0 N A:SER294 5.0 22.4 1.0 O P:GLU145 5.0 20.3 1.0

Mercury binding site 2 out of 2 in the Crystal Structure of PCSK9


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of PCSK9 within 5.0Å range: probe atom residue distance (Å) B Occ P:Hg694 b:35.2 occ:0.20 O A:HOH876 1.8 39.1 1.0 HG P:HG693 1.9 26.0 0.2 SG P:CYS67 2.2 29.1 1.0 OG P:SER147 2.9 25.0 1.0 O P:HOH723 3.0 37.7 1.0 CB P:CYS67 3.0 26.9 1.0 CB P:SER147 3.5 22.4 1.0 CA A:GLY292 3.6 22.3 1.0 CA P:CYS67 3.6 26.4 1.0 O A:HOH747 3.6 33.2 1.0 O A:GLY292 3.6 22.9 1.0 N A:GLY292 3.7 22.8 1.0 C A:GLY292 3.7 23.6 1.0 O A:TYR293 3.9 23.6 1.0 O A:HOH768 3.9 35.1 1.0 O A:HOH752 4.4 33.8 1.0 N P:CYS67 4.4 25.5 1.0 N A:TYR293 4.5 23.2 1.0 C A:TYR293 4.6 23.3 1.0 C P:CYS67 4.8 26.3 1.0 C A:GLY291 4.9 22.2 1.0 O P:HOH707 4.9 30.8 1.0

D.Cunningham, D.E.Danley, K.F.Geoghegan, M.C.Griffor, J.L.Hawkins, T.A.Subashi, A.H.Varghese, M.J.Ammirati, J.S.Culp, L.R.Hoth, M.N.Mansour, K.M.Mcgrath, A.P.Seddon, S.Shenolikar, K.J.Stutzman-Engwall, L.C.Warren, D.Xia, X.Qiu. Structural and Biophysical Studies of PCSK9 and Its Mutants Linked to Familial Hypercholesterolemia. Nat.Struct.Mol.Biol. V. 14 413 2007.
ISSN: ISSN 1545-9993
PubMed: 17435765
DOI: 10.1038/NSMB1235