Atomistry » Calcium » PDB 4gzt-4h82 » 4h2e
Atomistry »
  Calcium »
    PDB 4gzt-4h82 »
      4h2e »

Calcium in PDB 4h2e: Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains

Enzymatic activity of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains

All present enzymatic activity of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains:
3.4.24.35;

Protein crystallography data

The structure of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains, PDB code: 4h2e was solved by E.A.Stura, L.Vera, E.Cassar-Lajeunesse, E.Nuti, M.P.Catalani, V.Dive, A.Rossello, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.85 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 40.180, 97.400, 45.690, 90.00, 111.99, 90.00
R / Rfree (%) 27.7 / 31.1

Other elements in 4h2e:

The structure of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains (pdb code 4h2e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains, PDB code: 4h2e:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 4h2e

Go back to Calcium Binding Sites List in 4h2e
Calcium binding site 1 out of 5 in the Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:15.0
occ:1.00
 O A:GLN199 2.5 24.0 1.0
O A:GLY197 2.6 16.1 1.0
O A:ASP165 2.6 21.0 1.0
OD1 A:ASP201 2.7 0.0 1.0
CG A:ASP201 3.6 0.2 1.0
C A:GLY197 3.6 15.9 1.0
C A:ASP165 3.6 21.0 1.0
C A:GLN199 3.7 22.6 1.0
O A:GLY195 3.7 17.0 1.0
OD2 A:ASP201 3.9 14.9 1.0
N A:GLY197 4.0 14.3 1.0
O A:ALA164 4.0 14.6 1.0
CA A:GLY197 4.3 14.6 1.0
CA A:ASP165 4.3 20.7 1.0
CH2 A:TRP116 4.3 13.1 1.0
N A:GLN199 4.4 22.8 1.0
C A:PRO196 4.4 7.1 1.0
C A:ILE198 4.5 15.9 1.0
N A:ASP201 4.5 0.2 1.0
N A:GLY200 4.5 11.8 1.0
CA A:GLY200 4.6 11.7 1.0
N A:ILE166 4.6 8.3 1.0
C A:GLY200 4.6 12.0 1.0
CA A:GLN199 4.6 22.8 1.0
N A:ILE198 4.6 15.4 1.0
O A:ILE198 4.7 15.4 1.0
CA A:ILE166 4.7 8.1 1.0
CB A:ASP201 4.8 0.3 1.0
O A:PRO196 4.8 7.6 1.0
C A:GLY195 4.9 16.9 1.0
CA A:ILE198 4.9 15.9 1.0
CA A:PRO196 5.0 7.6 1.0

Calcium binding site 2 out of 5 in 4h2e

Go back to Calcium Binding Sites List in 4h2e
Calcium binding site 2 out of 5 in the Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:21.4
occ:1.00
 O A:GLY183 2.1 12.7 1.0
O A:LEU187 2.2 23.2 1.0
OD2 A:ASP205 2.3 12.4 1.0
O A:ASP185 2.4 24.7 1.0
OE2 A:GLU208 2.5 30.0 1.0
OD2 A:ASP182 2.5 26.0 1.0
C A:GLY183 3.3 13.0 1.0
CG A:ASP182 3.3 25.8 1.0
C A:LEU187 3.4 23.7 1.0
CG A:ASP205 3.4 12.7 1.0
C A:ASP185 3.6 25.1 1.0
CD A:GLU208 3.6 29.0 1.0
N A:GLY183 3.7 14.1 1.0
OD1 A:ASP182 3.7 27.1 1.0
N A:ASP185 3.9 23.7 1.0
CB A:ASP205 4.0 13.2 1.0
N A:ASP182 4.1 22.5 1.0
N A:LEU187 4.1 25.6 1.0
CA A:GLY183 4.1 13.9 1.0
C A:LYS184 4.1 14.5 1.0
C A:ASP182 4.2 22.3 1.0
CA A:LEU187 4.2 26.1 1.0
CA A:ASP185 4.3 25.1 1.0
N A:LYS184 4.3 14.2 1.0
CA A:ASP182 4.4 23.0 1.0
N A:LEU188 4.4 20.0 1.0
CG A:GLU208 4.4 28.8 1.0
CB A:ASP182 4.4 23.7 1.0
OD1 A:ASP205 4.5 12.0 1.0
C A:GLY186 4.5 34.4 1.0
CA A:LYS184 4.5 14.5 1.0
OE1 A:GLU208 4.5 28.2 1.0
O A:LYS184 4.5 15.1 1.0
CA A:LEU188 4.6 19.6 1.0
N A:GLY186 4.6 35.1 1.0
CB A:LEU187 4.7 24.9 1.0
CA A:GLY186 4.9 34.2 1.0
O A:ASP182 4.9 21.9 1.0
CB A:PHE181 4.9 26.7 1.0

Calcium binding site 3 out of 5 in 4h2e

Go back to Calcium Binding Sites List in 4h2e
Calcium binding site 3 out of 5 in the Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca303

b:13.6
occ:1.00
 O B:GLY197 2.4 5.3 1.0
OD1 B:ASP201 2.5 4.0 1.0
O B:GLN199 2.7 19.4 1.0
O B:ASP165 2.7 20.6 1.0
CG B:ASP201 3.3 4.4 1.0
C B:ASP165 3.6 21.2 1.0
C B:GLY197 3.6 5.2 1.0
OD2 B:ASP201 3.6 3.1 1.0
O B:ALA164 3.7 16.2 1.0
C B:GLN199 3.8 18.9 1.0
O B:GLY195 4.1 7.1 1.0
CA B:ASP165 4.2 20.8 1.0
N B:GLY197 4.3 4.2 1.0
N B:GLN199 4.3 18.5 1.0
CA B:GLY197 4.4 4.3 1.0
C B:ILE198 4.4 0.9 1.0
N B:ILE166 4.5 12.6 1.0
N B:ASP201 4.5 4.3 1.0
N B:ILE198 4.6 0.1 1.0
C B:GLY200 4.6 5.3 1.0
CB B:ASP201 4.6 4.3 1.0
O B:ILE198 4.6 0.7 1.0
N B:GLY200 4.7 5.1 1.0
CA B:GLN199 4.7 18.8 1.0
C B:ALA164 4.7 15.3 1.0
CA B:GLY200 4.7 5.4 1.0
CA B:ILE166 4.7 12.4 1.0
C B:PRO196 4.7 9.2 1.0
CA B:ILE198 4.8 0.3 1.0
N B:VAL167 4.8 14.3 1.0
CG2 B:VAL167 4.8 14.7 1.0
CH2 B:TRP116 4.9 20.1 1.0
N B:ASP165 4.9 20.9 1.0
CA B:ASP201 4.9 4.1 1.0

Calcium binding site 4 out of 5 in 4h2e

Go back to Calcium Binding Sites List in 4h2e
Calcium binding site 4 out of 5 in the Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca304

b:25.2
occ:1.00
 O B:LEU187 2.2 24.1 1.0
O B:GLY183 2.3 17.8 1.0
OD2 B:ASP205 2.3 10.1 1.0
O B:ASP185 2.4 23.2 1.0
OE2 B:GLU208 2.7 15.8 1.0
OD2 B:ASP182 3.2 26.9 1.0
OD1 B:ASP182 3.3 27.8 1.0
C B:LEU187 3.4 24.6 1.0
CG B:ASP182 3.4 26.1 1.0
C B:GLY183 3.4 17.8 1.0
CG B:ASP205 3.5 10.4 1.0
C B:ASP185 3.6 23.9 1.0
CD B:GLU208 3.7 15.1 1.0
N B:GLY183 3.7 19.7 1.0
N B:LEU187 4.0 25.6 1.0
N B:ASP182 4.0 23.4 1.0
CG B:GLU208 4.0 14.5 1.0
N B:ASP185 4.0 22.0 1.0
CA B:GLY183 4.1 18.0 1.0
CA B:LEU187 4.2 25.5 1.0
C B:ASP182 4.2 23.7 1.0
C B:LYS184 4.2 9.2 1.0
CB B:ASP205 4.2 11.6 1.0
C B:GLY186 4.3 13.4 1.0
CA B:ASP185 4.4 24.1 1.0
N B:LEU188 4.4 6.6 1.0
CA B:ASP182 4.4 23.5 1.0
N B:LYS184 4.4 8.4 1.0
CB B:ASP182 4.4 24.9 1.0
OD1 B:ASP205 4.5 9.9 1.0
O B:LYS184 4.5 9.3 1.0
N B:GLY186 4.5 14.1 1.0
CA B:LEU188 4.6 5.8 1.0
CB B:LEU187 4.6 25.6 1.0
CB B:PHE181 4.6 23.6 1.0
CA B:LYS184 4.6 9.0 1.0
CA B:GLY186 4.7 14.1 1.0
OE1 B:GLU208 4.8 14.4 1.0
O B:ASP182 4.8 22.9 1.0
O B:GLY186 4.9 14.8 1.0
C B:PHE181 4.9 22.1 1.0

Calcium binding site 5 out of 5 in 4h2e

Go back to Calcium Binding Sites List in 4h2e
Calcium binding site 5 out of 5 in the Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of An Mmp Twin Inhibitor Complexing Two Mmp-9 Catalytic Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca305

b:51.9
occ:1.00
 O B:GLU208 2.4 15.9 1.0
OD1 B:ASP206 2.6 22.3 1.0
O B:ASP206 2.6 26.2 1.0
OD2 B:ASP131 2.9 25.2 1.0
OG B:SER129 3.1 19.4 1.0
CG B:ASP131 3.2 24.2 1.0
OD1 B:ASP131 3.3 25.6 1.0
C B:ASP206 3.3 23.9 1.0
C B:GLU208 3.6 16.0 1.0
CD1 B:TRP210 3.6 13.2 1.0
CA B:ASP206 3.6 22.8 1.0
CG B:ASP206 3.6 23.3 1.0
CB B:ASP206 4.2 22.5 1.0
CA B:LEU209 4.3 24.2 1.0
NE1 B:TRP210 4.3 13.0 1.0
N B:TRP210 4.3 16.3 1.0
N B:LEU209 4.4 23.8 1.0
CB B:ASP131 4.4 22.7 1.0
CB B:SER129 4.5 17.5 1.0
N B:ASP207 4.5 16.8 1.0
N B:GLU208 4.5 14.8 1.0
CG B:TRP210 4.5 13.7 1.0
O B:ASP205 4.6 11.6 1.0
C B:ASP207 4.6 18.1 1.0
CA B:GLU208 4.6 15.1 1.0
C B:LEU209 4.7 23.1 1.0
OD2 B:ASP206 4.7 24.8 1.0
N B:ASP206 4.9 21.6 1.0
CB B:TRP210 4.9 15.1 1.0
CA B:ASP207 4.9 17.6 1.0

Reference:

C.Antoni, L.Vera, L.Devel, M.P.Catalani, B.Czarny, E.Cassar-Lajeunesse, E.Nuti, A.Rossello, V.Dive, E.A.Stura. Crystallization of Bi-Functional Ligand Protein Complexes. J.Struct.Biol. V. 182 246 2013.
ISSN: ISSN 1047-8477
PubMed: 23567804
DOI: 10.1016/J.JSB.2013.03.015
Page generated: Tue Jul 8 22:32:33 2025

Last articles

Mg in 5SED
Mg in 5SEE
Mg in 5SEC
Mg in 5SEB
Mg in 5SEA
Mg in 5SE9
Mg in 5SE8
Mg in 5SE7
Mg in 5SE6
Mg in 5SE5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy