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

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

All present enzymatic activity of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Arg-Arg-Arg-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 Arg-Arg-Arg-Val-Arg-Amba, PDB code: 6eqx 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) 47.16 / 1.99
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.805, 131.805, 155.347, 90.00, 90.00, 120.00
R / Rfree (%) 16.2 / 18.4

Other elements in 6eqx:

The structure of X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Arg-Arg-Arg-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 Arg-Arg-Arg-Val-Arg-Amba (pdb code 6eqx). 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 Arg-Arg-Arg-Val-Arg-Amba, PDB code: 6eqx:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 6eqx

Go back to Calcium Binding Sites List in 6eqx
Calcium binding site 1 out of 3 in the X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Arg-Arg-Arg-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 Arg-Arg-Arg-Val-Arg-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca601

b:24.0
occ:1.00
 OD2 A:ASP174 2.3 20.7 1.0
O A:ASP181 2.4 20.1 1.0
O A:HOH735 2.4 23.9 1.0
O A:HOH814 2.4 25.2 1.0
O A:HOH1081 2.5 24.9 1.0
OD2 A:ASP179 2.5 25.7 1.0
OD1 A:ASP179 2.6 24.0 1.0
CG A:ASP179 2.9 24.9 1.0
CG A:ASP174 3.3 20.9 1.0
CB A:ASP174 3.5 20.9 1.0
C A:ASP181 3.5 20.1 1.0
CB A:ASP181 4.0 22.2 1.0
CA A:ASP181 4.2 19.2 1.0
N A:ASP181 4.3 22.3 1.0
CB A:ASP179 4.4 23.4 1.0
OD1 A:ASP174 4.4 17.8 1.0
CG A:ASP181 4.5 31.9 1.0
CB A:ASP177 4.5 18.6 1.0
NH2 A:ARG225 4.5 24.9 1.0
OD2 A:ASP177 4.6 33.2 1.0
N A:PRO182 4.6 21.9 1.0
N A:GLN183 4.8 19.4 1.0
O A:GLN183 4.8 17.9 1.0
CA A:PRO182 4.8 18.4 1.0
O A:HOH1120 4.9 43.4 1.0
OD1 A:ASP181 4.9 24.2 1.0
CD A:ARG225 4.9 18.9 1.0

Calcium binding site 2 out of 3 in 6eqx

Go back to Calcium Binding Sites List in 6eqx
Calcium binding site 2 out of 3 in the X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Arg-Arg-Arg-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 Arg-Arg-Arg-Val-Arg-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca602

b:22.3
occ:1.00
 O A:VAL205 2.3 24.1 1.0
O A:VAL210 2.3 20.2 1.0
OD2 A:ASP115 2.4 22.1 1.0
O A:GLY212 2.4 21.9 1.0
OD1 A:ASP162 2.4 22.5 1.0
OD1 A:ASN208 2.5 24.4 1.0
OD2 A:ASP162 2.6 22.9 1.0
CG A:ASP162 2.8 23.5 1.0
CG A:ASP115 3.5 22.2 1.0
C A:VAL205 3.5 19.8 1.0
C A:VAL210 3.5 26.3 1.0
CG A:ASN208 3.5 23.8 1.0
C A:GLY212 3.6 26.9 1.0
ND2 A:ASN208 3.9 19.7 1.0
CB A:ASP115 4.1 23.8 1.0
N A:GLY212 4.2 26.9 1.0
N A:VAL210 4.3 25.4 1.0
CA A:VAL210 4.3 24.3 1.0
C A:CYS211 4.3 29.4 1.0
CB A:ASP162 4.3 20.5 1.0
N A:ALA206 4.4 21.6 1.0
N A:VAL205 4.4 23.3 1.0
CB A:VAL210 4.4 27.9 1.0
CA A:ALA206 4.4 20.2 1.0
CA A:GLY212 4.4 19.2 1.0
CA A:VAL205 4.4 20.7 1.0
OD1 A:ASP115 4.5 22.1 1.0
N A:CYS211 4.5 24.1 1.0
O A:CYS211 4.5 22.7 1.0
N A:VAL213 4.6 21.1 1.0
O A:HOH864 4.6 20.5 1.0
CG1 A:VAL213 4.7 20.8 1.0
CA A:VAL213 4.7 19.8 1.0
C A:ALA206 4.7 24.3 1.0
CB A:VAL205 4.8 23.8 1.0
N A:ASN208 4.8 24.8 1.0
CA A:CYS211 4.8 26.2 1.0
CB A:ASN208 4.9 27.4 1.0
N A:ASN207 4.9 26.4 1.0
C A:ALA204 4.9 18.8 1.0
CB A:CYS211 4.9 25.7 1.0

Calcium binding site 3 out of 3 in 6eqx

Go back to Calcium Binding Sites List in 6eqx
Calcium binding site 3 out of 3 in the X-Ray Structure of the Proprotein Convertase Furin Bound with the Competitive Inhibitor Arg-Arg-Arg-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 Arg-Arg-Arg-Val-Arg-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca603

b:15.3
occ:1.00
 OD2 A:ASP301 2.3 14.8 1.0
O A:HOH807 2.4 14.7 1.0
OD1 A:ASP258 2.4 18.7 1.0
OE1 A:GLU331 2.4 14.4 1.0
OE2 A:GLU331 2.5 16.7 1.0
O A:HOH755 2.5 14.2 1.0
O A:HOH976 2.5 16.1 1.0
CD A:GLU331 2.8 15.6 1.0
CG A:ASP301 3.3 18.0 1.0
CG A:ASP258 3.5 20.6 1.0
OD1 A:ASP301 4.1 16.9 1.0
CB A:ASP301 4.1 15.1 1.0
N35 D:00S6 4.1 14.8 1.0
CB A:ASP258 4.2 18.0 1.0
CA A:ASP258 4.2 17.5 1.0
CG A:GLU331 4.3 16.1 1.0
O A:HOH904 4.3 20.1 1.0
OD2 A:ASP258 4.4 17.9 1.0
O A:SER302 4.4 17.6 1.0
OD2 A:ASP306 4.5 17.1 1.0
O A:HOH925 4.5 16.7 1.0
O A:SER293 4.5 17.3 1.0
CA A:GLY294 4.6 13.1 1.0
O A:GLU257 4.6 17.3 1.0
CB A:ASP306 4.7 14.1 1.0
CA A:CYS303 4.8 15.0 1.0
C27 D:00S6 4.8 17.4 1.0
N A:GLY296 4.8 18.6 1.0
C A:SER302 4.8 16.5 1.0
O A:PRO256 4.9 15.7 1.0
N A:ASP258 5.0 18.6 1.0
CA A:GLY296 5.0 15.2 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: Mon Jul 15 18:37:01 2024

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