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Mercury in PDB 2p4e: Crystal Structure of PCSK9

Protein crystallography data

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

Mercury Binding Sites:

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 2p4e

Go back to Mercury Binding Sites List in 2p4e
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 2p4e

Go back to Mercury Binding Sites List in 2p4e
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

Reference:

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
Page generated: Wed Oct 28 18:41:54 2020

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