Atomistry » Calcium » PDB 5jao-5jr4 » 5jmo
Atomistry »
  Calcium »
    PDB 5jao-5jr4 »
      5jmo »

Calcium in PDB 5jmo: X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14

Enzymatic activity of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14, PDB code: 5jmo 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) 66.38 / 2.00
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 169.775, 50.039, 144.244, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 19.7

Other elements in 5jmo:

The structure of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 (pdb code 5jmo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14, PDB code: 5jmo:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 5jmo

Go back to Calcium Binding Sites List in 5jmo
Calcium binding site 1 out of 6 in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14


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 Furin in Complex with the Inhibitory Antibody NB14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca603

b:17.2
occ:1.00
 OD2 A:ASP174 2.3 14.7 1.0
O A:ASP181 2.4 14.4 1.0
O A:HOH769 2.5 16.8 1.0
O A:HOH859 2.5 19.1 1.0
O A:HOH1008 2.5 17.9 1.0
OD1 A:ASP179 2.5 19.0 1.0
OD2 A:ASP179 2.6 22.3 1.0
CG A:ASP179 2.9 18.8 1.0
CG A:ASP174 3.3 16.3 1.0
C A:ASP181 3.6 16.3 1.0
CB A:ASP174 3.6 15.2 1.0
CB A:ASP181 4.1 16.7 1.0
CA A:ASP181 4.2 16.7 1.0
CB A:ASP179 4.4 15.7 1.0
OD1 A:ASP174 4.4 15.7 1.0
O A:HOH1016 4.5 35.9 1.0
N A:ASP181 4.5 20.7 1.0
NH2 A:ARG225 4.5 14.2 1.0
CB A:ASP177 4.6 17.6 1.0
N A:PRO182 4.6 14.2 1.0
O A:HOH1022 4.6 33.2 1.0
CG A:ASP181 4.6 20.2 1.0
OD2 A:ASP177 4.7 25.6 1.0
O A:HOH891 4.8 39.6 1.0
O A:GLN183 4.9 13.5 1.0
N A:GLN183 4.9 13.7 1.0
CA A:PRO182 4.9 13.9 1.0

Calcium binding site 2 out of 6 in 5jmo

Go back to Calcium Binding Sites List in 5jmo
Calcium binding site 2 out of 6 in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14


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 Furin in Complex with the Inhibitory Antibody NB14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca604

b:18.9
occ:1.00
 O A:VAL210 2.3 20.0 1.0
O A:VAL205 2.3 18.0 1.0
O A:GLY212 2.4 18.7 1.0
OD2 A:ASP115 2.4 21.1 1.0
OD1 A:ASP162 2.5 18.2 1.0
OD2 A:ASP162 2.6 19.9 1.0
OD1 A:ASN208 2.6 21.5 1.0
CG A:ASP162 2.9 17.2 1.0
CG A:ASP115 3.5 18.6 1.0
C A:VAL210 3.5 21.1 1.0
C A:VAL205 3.5 18.0 1.0
C A:GLY212 3.6 16.1 1.0
CG A:ASN208 3.6 16.6 1.0
ND2 A:ASN208 3.9 18.7 1.0
N A:GLY212 4.1 19.2 1.0
CB A:ASP115 4.1 16.6 1.0
N A:VAL210 4.2 20.6 1.0
CA A:VAL210 4.2 18.1 1.0
C A:CYS211 4.3 24.7 1.0
CA A:GLY212 4.3 14.0 1.0
N A:ALA206 4.4 21.1 1.0
CB A:ASP162 4.4 14.4 1.0
CA A:ALA206 4.4 19.3 1.0
CA A:VAL205 4.4 16.0 1.0
N A:VAL205 4.4 15.9 1.0
OD1 A:ASP115 4.4 20.6 1.0
CB A:VAL210 4.4 20.8 1.0
N A:CYS211 4.5 21.4 1.0
N A:VAL213 4.6 14.4 1.0
O A:CYS211 4.6 24.6 1.0
O A:HOH910 4.7 21.0 1.0
CA A:CYS211 4.7 20.7 1.0
CA A:VAL213 4.7 15.2 1.0
CG1 A:VAL213 4.8 20.2 1.0
CB A:CYS211 4.8 21.6 1.0
N A:ASN208 4.8 20.3 1.0
CB A:VAL205 4.8 19.4 1.0
C A:ALA206 4.8 17.9 1.0
C A:ALA204 4.9 15.7 1.0
CB A:ASN208 4.9 20.4 1.0
N A:ASN207 4.9 21.4 1.0
CB A:ALA204 5.0 12.4 1.0

Calcium binding site 3 out of 6 in 5jmo

Go back to Calcium Binding Sites List in 5jmo
Calcium binding site 3 out of 6 in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14


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 Furin in Complex with the Inhibitory Antibody NB14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca605

b:14.8
occ:1.00
 O A:HOH808 2.3 12.4 1.0
OD2 A:ASP301 2.3 16.1 1.0
OD1 A:ASP258 2.4 13.8 1.0
OE1 A:GLU331 2.4 15.1 1.0
O A:HOH955 2.4 15.3 1.0
O A:HOH948 2.6 14.8 1.0
OE2 A:GLU331 2.6 11.3 1.0
CD A:GLU331 2.8 16.0 1.0
CG A:ASP301 3.3 17.6 1.0
CG A:ASP258 3.5 15.2 1.0
NH2 G:AR75 3.9 15.4 1.0
OD1 A:ASP301 4.0 16.8 1.0
CB A:ASP301 4.1 13.9 1.0
CB A:ASP258 4.1 12.7 1.0
CA A:ASP258 4.1 18.4 1.0
O A:HOH953 4.2 17.5 1.0
CG A:GLU331 4.3 14.9 1.0
OD2 A:ASP258 4.4 16.9 1.0
CA A:GLY294 4.4 11.8 1.0
O A:SER293 4.5 14.1 1.0
OD2 A:ASP306 4.6 18.1 1.0
O A:HOH901 4.6 17.2 1.0
CB A:ASP306 4.6 15.3 1.0
CZ G:AR75 4.6 18.2 1.0
O A:GLU257 4.7 16.6 1.0
O A:SER302 4.7 18.1 1.0
CA A:CYS303 4.8 16.1 1.0
O A:PRO256 4.8 17.0 1.0
N A:GLY296 4.9 15.4 1.0
N A:ASP258 4.9 16.1 1.0
C A:SER302 5.0 16.9 1.0

Calcium binding site 4 out of 6 in 5jmo

Go back to Calcium Binding Sites List in 5jmo
Calcium binding site 4 out of 6 in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca603

b:14.3
occ:1.00
 OD2 B:ASP174 2.3 14.9 1.0
O B:HOH1029 2.3 18.5 1.0
O B:ASP181 2.4 14.4 1.0
O B:HOH934 2.4 16.0 1.0
O B:HOH757 2.5 15.8 1.0
OD1 B:ASP179 2.5 16.0 1.0
OD2 B:ASP179 2.6 19.6 1.0
CG B:ASP179 2.9 17.8 1.0
CG B:ASP174 3.3 15.8 1.0
C B:ASP181 3.5 14.1 1.0
CB B:ASP174 3.6 15.4 1.0
CB B:ASP181 4.1 18.8 1.0
CA B:ASP181 4.2 15.9 1.0
CB B:ASP179 4.4 15.4 1.0
OD1 B:ASP174 4.4 13.3 1.0
N B:ASP181 4.5 15.0 1.0
NH2 B:ARG225 4.5 16.1 1.0
CB B:ASP177 4.6 17.9 1.0
CG B:ASP181 4.6 21.6 1.0
N B:PRO182 4.6 12.0 1.0
OD2 B:ASP177 4.8 28.1 1.0
O B:GLN183 4.9 12.7 1.0
N B:GLN183 4.9 11.0 1.0
CA B:PRO182 4.9 12.2 1.0
OD1 B:ASP181 4.9 15.7 1.0

Calcium binding site 5 out of 6 in 5jmo

Go back to Calcium Binding Sites List in 5jmo
Calcium binding site 5 out of 6 in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca604

b:12.9
occ:1.00
 O B:VAL205 2.3 9.1 1.0
OD2 B:ASP115 2.4 13.9 1.0
O B:VAL210 2.4 12.7 1.0
O B:GLY212 2.4 11.8 1.0
OD1 B:ASP162 2.5 13.0 1.0
OD2 B:ASP162 2.6 12.4 1.0
OD1 B:ASN208 2.6 9.8 1.0
CG B:ASP162 2.9 11.8 1.0
CG B:ASP115 3.5 12.7 1.0
C B:VAL210 3.5 12.7 1.0
C B:VAL205 3.5 10.8 1.0
C B:GLY212 3.6 11.3 1.0
CG B:ASN208 3.6 9.9 1.0
ND2 B:ASN208 4.0 10.7 1.0
N B:GLY212 4.1 9.7 1.0
CB B:ASP115 4.1 10.0 1.0
CA B:VAL210 4.2 11.3 1.0
N B:VAL210 4.2 13.2 1.0
C B:CYS211 4.3 12.6 1.0
CB B:VAL210 4.3 12.4 1.0
CA B:GLY212 4.3 11.8 1.0
CA B:ALA206 4.3 10.2 1.0
N B:ALA206 4.4 10.2 1.0
CB B:ASP162 4.4 13.6 1.0
OD1 B:ASP115 4.5 11.6 1.0
CA B:VAL205 4.5 9.7 1.0
N B:CYS211 4.6 10.7 1.0
O B:CYS211 4.6 12.4 1.0
N B:VAL213 4.6 11.2 1.0
N B:VAL205 4.6 10.2 1.0
O B:HOH900 4.7 14.5 1.0
C B:ALA206 4.7 13.8 1.0
CA B:VAL213 4.7 11.9 1.0
CA B:CYS211 4.8 13.4 1.0
CB B:VAL205 4.8 12.1 1.0
CG1 B:VAL213 4.8 11.4 1.0
CB B:CYS211 4.9 12.0 1.0
N B:ASN208 4.9 10.4 1.0
N B:ASN207 4.9 11.2 1.0
CB B:ASN208 4.9 12.4 1.0
CG1 B:VAL210 5.0 12.3 1.0
C B:ALA204 5.0 9.5 1.0

Calcium binding site 6 out of 6 in 5jmo

Go back to Calcium Binding Sites List in 5jmo
Calcium binding site 6 out of 6 in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca605

b:16.3
occ:1.00
 OD2 B:ASP301 2.3 15.2 1.0
OD1 B:ASP258 2.4 14.3 1.0
OE1 B:GLU331 2.4 14.5 1.0
O B:HOH750 2.4 10.1 1.0
O B:HOH795 2.5 15.4 1.0
OE2 B:GLU331 2.5 18.0 1.0
O B:HOH923 2.5 14.4 1.0
CD B:GLU331 2.8 16.4 1.0
CG B:ASP301 3.3 17.9 1.0
CG B:ASP258 3.4 15.7 1.0
NH1 H:AR76 3.9 13.6 1.0
OD1 B:ASP301 4.0 18.2 1.0
CA B:ASP258 4.1 15.4 1.0
CB B:ASP258 4.1 15.6 1.0
CB B:ASP301 4.2 17.4 1.0
O B:HOH933 4.3 20.4 1.0
CG B:GLU331 4.3 14.3 1.0
OD2 B:ASP258 4.3 15.8 1.0
CA B:GLY294 4.5 12.7 1.0
O B:SER302 4.5 18.2 1.0
O B:HOH915 4.5 17.6 1.0
OD2 B:ASP306 4.6 19.7 1.0
O B:SER293 4.6 15.2 1.0
CB B:ASP306 4.6 15.5 1.0
CZ H:AR76 4.7 13.7 1.0
O B:GLU257 4.7 16.3 1.0
O B:PRO256 4.8 12.2 1.0
CA B:CYS303 4.8 16.6 1.0
C B:SER302 4.9 14.2 1.0
N B:GLY296 4.9 13.8 1.0
N B:ASP258 4.9 14.3 1.0

Reference:

S.O.Dahms, J.W.Creemers, Y.Schaub, G.P.Bourenkov, T.Zogg, H.Brandstetter, M.E.Than. The Structure of A Furin-Antibody Complex Explains Non-Competitive Inhibition By Steric Exclusion of Substrate Conformers. Sci Rep V. 6 34303 2016.
ISSN: ESSN 2045-2322
PubMed: 27670069
DOI: 10.1038/SREP34303
Page generated: Mon Jul 15 06:28:13 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy