Calcium in PDB 6eqv: X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba

Enzymatic activity of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba

All present enzymatic activity of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba, PDB code: 6eqv was solved by S.O.Dahms, M.E.Than, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.98 / 1.90
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.601, 131.601, 155.638, 90.00, 90.00, 120.00
R / Rfree (%) 16.4 / 18.2

Other elements in 6eqv:

The structure of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Sodium (Na) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba (pdb code 6eqv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba, PDB code: 6eqv:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 6eqv

Go back to Calcium Binding Sites List in 6eqv
Calcium binding site 1 out of 3 in the X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca601

b:24.7
occ:1.00
OD2 A:ASP174 2.4 25.6 1.0
O A:ASP181 2.4 22.9 1.0
O A:HOH1118 2.4 24.8 1.0
O A:HOH773 2.4 24.9 1.0
O A:HOH767 2.4 28.3 1.0
OD1 A:ASP179 2.5 26.1 1.0
OD2 A:ASP179 2.6 29.0 1.0
CG A:ASP179 2.9 26.6 1.0
CG A:ASP174 3.3 24.9 1.0
C A:ASP181 3.5 21.8 1.0
CB A:ASP174 3.5 22.7 1.0
CB A:ASP181 4.0 23.8 1.0
CA A:ASP181 4.1 20.4 1.0
N A:ASP181 4.3 25.8 1.0
CB A:ASP179 4.4 22.3 1.0
OD1 A:ASP174 4.5 20.8 1.0
NH2 A:ARG225 4.5 27.9 1.0
CG A:ASP181 4.6 34.3 1.0
CB A:ASP177 4.6 24.6 1.0
N A:PRO182 4.6 22.8 1.0
OD2 A:ASP177 4.7 37.9 1.0
N A:GLN183 4.8 24.0 1.0
CA A:PRO182 4.8 21.4 1.0
O A:GLN183 4.8 20.9 1.0
O A:HOH1155 4.9 40.8 1.0
OD1 A:ASP181 5.0 27.0 1.0

Calcium binding site 2 out of 3 in 6eqv

Go back to Calcium Binding Sites List in 6eqv
Calcium binding site 2 out of 3 in the X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca602

b:23.5
occ:1.00
O A:VAL205 2.3 23.6 1.0
O A:VAL210 2.3 23.1 1.0
OD2 A:ASP115 2.4 22.4 1.0
O A:GLY212 2.4 21.8 1.0
OD1 A:ASP162 2.4 25.3 1.0
OD1 A:ASN208 2.6 24.4 1.0
OD2 A:ASP162 2.6 23.8 1.0
CG A:ASP162 2.9 27.2 1.0
C A:VAL205 3.5 22.9 1.0
CG A:ASP115 3.5 20.6 1.0
C A:VAL210 3.5 26.4 1.0
CG A:ASN208 3.6 27.6 1.0
C A:GLY212 3.6 24.1 1.0
ND2 A:ASN208 3.9 22.4 1.0
CB A:ASP115 4.1 24.1 1.0
N A:GLY212 4.2 23.5 1.0
N A:VAL210 4.3 27.0 1.0
CA A:VAL210 4.3 26.8 1.0
C A:CYS211 4.3 25.7 1.0
N A:ALA206 4.3 24.7 1.0
CA A:ALA206 4.4 20.1 1.0
CB A:VAL210 4.4 29.4 1.0
CB A:ASP162 4.4 24.4 1.0
N A:VAL205 4.4 24.9 1.0
CA A:VAL205 4.4 20.4 1.0
CA A:GLY212 4.4 20.5 1.0
OD1 A:ASP115 4.4 25.3 1.0
N A:CYS211 4.5 25.3 1.0
O A:CYS211 4.6 23.8 1.0
N A:VAL213 4.6 21.0 1.0
O A:HOH846 4.6 21.6 1.0
CG1 A:VAL213 4.7 25.6 1.0
CA A:VAL213 4.7 18.3 1.0
C A:ALA206 4.7 25.8 1.0
CB A:VAL205 4.7 26.3 1.0
N A:ASN208 4.8 24.6 1.0
N A:ASN207 4.8 27.0 1.0
CA A:CYS211 4.8 27.6 1.0
C A:ALA204 4.9 20.9 1.0
CB A:ASN208 4.9 27.8 1.0
CG1 A:VAL210 4.9 31.5 1.0
CB A:CYS211 5.0 26.4 1.0
CB A:ALA204 5.0 20.1 1.0

Calcium binding site 3 out of 3 in 6eqv

Go back to Calcium Binding Sites List in 6eqv
Calcium binding site 3 out of 3 in the X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Phac-Cit-Val-Arg-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca603

b:17.1
occ:1.00
OD2 A:ASP301 2.3 16.1 1.0
O A:HOH843 2.4 14.3 1.0
OE1 A:GLU331 2.4 17.6 1.0
OD1 A:ASP258 2.4 18.6 1.0
OE2 A:GLU331 2.5 18.9 1.0
O A:HOH890 2.5 16.9 1.0
O A:HOH997 2.5 15.7 1.0
CD A:GLU331 2.8 17.7 1.0
CG A:ASP301 3.3 15.4 1.0
CG A:ASP258 3.5 24.3 1.0
OD1 A:ASP301 4.0 17.8 1.0
CB A:ASP301 4.1 13.2 1.0
N35 D:00S5 4.1 17.4 1.0
CB A:ASP258 4.2 20.7 1.0
CA A:ASP258 4.2 21.1 1.0
O A:HOH924 4.2 22.1 1.0
CG A:GLU331 4.3 19.1 1.0
OD2 A:ASP258 4.4 19.0 1.0
O A:HOH956 4.5 19.2 1.0
OD2 A:ASP306 4.5 20.4 1.0
O A:SER302 4.6 20.4 1.0
O A:SER293 4.6 18.6 1.0
CA A:GLY294 4.7 15.4 1.0
O A:GLU257 4.7 18.9 1.0
CB A:ASP306 4.7 18.9 1.0
O A:PRO256 4.8 17.8 1.0
CA A:CYS303 4.8 17.5 1.0
N A:GLY296 4.8 17.8 1.0
C27 D:00S5 4.9 21.8 1.0
C A:SER302 4.9 20.1 1.0
N A:ASP258 5.0 18.3 1.0
CA A:GLY296 5.0 17.1 1.0

Reference:

S.O.Dahms, K.Hardes, T.Steinmetzer, M.E.Than. X-Ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants Beyond the S4 Pocket. Biochemistry V. 57 925 2018.
ISSN: ISSN 1520-4995
PubMed: 29314830
DOI: 10.1021/ACS.BIOCHEM.7B01124
Page generated: Sat Dec 12 06:05:19 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy