Atomistry » Calcium » PDB 4ixo-4jml » 4jij
Atomistry »
  Calcium »
    PDB 4ixo-4jml »
      4jij »

Calcium in PDB 4jij: Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate

Enzymatic activity of Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate

All present enzymatic activity of Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate:
3.4.24.35;

Protein crystallography data

The structure of Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate, PDB code: 4jij was solved by E.A.Stura, L.Vera, E.Cassar-Lajeunesse, I.Tranchant, M.Amoura, V.Dive, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.57 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 34.200, 57.400, 172.030, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 19.5

Other elements in 4jij:

The structure of Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate also contains other interesting chemical elements:

Strontium (Sr) 4 atoms
Iodine (I) 2 atoms
Zinc (Zn) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate (pdb code 4jij). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate, PDB code: 4jij:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4jij

Go back to Calcium Binding Sites List in 4jij
Calcium binding site 1 out of 2 in the Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate


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 Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:10.9
occ:1.00
O A:GLY183 2.2 13.3 1.0
OE2 A:GLU208 2.2 15.0 1.0
O A:ASP185 2.3 15.3 1.0
OD2 A:ASP205 2.3 10.7 1.0
O A:LEU187 2.3 11.9 1.0
OD1 A:ASP182 2.4 12.0 1.0
CG A:ASP205 3.4 10.4 1.0
C A:LEU187 3.4 13.4 1.0
C A:ASP185 3.4 13.9 1.0
C A:GLY183 3.5 17.6 1.0
CD A:GLU208 3.5 14.3 1.0
CG A:ASP182 3.5 16.3 1.0
N A:LEU187 3.8 11.7 1.0
N A:ASP185 3.9 17.4 1.0
N A:GLY183 4.0 12.2 1.0
CB A:ASP205 4.0 8.8 1.0
OD2 A:ASP182 4.0 17.4 1.0
C A:LYS184 4.1 17.0 1.0
CA A:LEU187 4.1 11.1 1.0
CA A:ASP185 4.2 16.9 1.0
C A:GLY186 4.2 13.1 1.0
OE1 A:GLU208 4.3 18.2 1.0
N A:ASP182 4.3 11.4 1.0
OD1 A:ASP205 4.3 10.7 1.0
C A:ASP182 4.3 15.4 1.0
CA A:GLY183 4.3 17.4 1.0
CG A:GLU208 4.4 14.6 1.0
N A:LYS184 4.4 17.1 1.0
O A:LYS184 4.5 17.4 1.0
N A:GLY186 4.5 13.3 1.0
CA A:LYS184 4.5 18.5 1.0
N A:LEU188 4.5 9.8 1.0
O A:HOH557 4.5 30.6 1.0
CB A:LEU187 4.6 11.2 1.0
CA A:GLY186 4.6 12.9 1.0
CA A:ASP182 4.6 13.5 1.0
CB A:ASP182 4.7 15.1 1.0
CA A:LEU188 4.7 8.6 1.0
O A:GLY186 4.8 13.1 1.0
O A:ASP182 4.8 15.9 1.0

Calcium binding site 2 out of 2 in 4jij

Go back to Calcium Binding Sites List in 4jij
Calcium binding site 2 out of 2 in the Crystal Structure of An Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate


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 Inactive Mutant of Mmp-9 Catalytic Domain in Complex with A Fluorogenic Synthetic Peptidic Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca303

b:13.4
occ:1.00
OE2 B:GLU208 2.1 19.4 1.0
O B:GLY183 2.3 17.4 1.0
O B:LEU187 2.3 15.8 1.0
OD2 B:ASP205 2.3 14.2 1.0
O B:ASP185 2.3 18.7 1.0
OD1 B:ASP182 2.4 17.5 1.0
CD B:GLU208 3.4 18.2 1.0
C B:LEU187 3.4 14.5 1.0
CG B:ASP205 3.4 17.4 1.0
C B:GLY183 3.5 21.3 1.0
C B:ASP185 3.5 20.3 1.0
CG B:ASP182 3.6 21.4 1.0
N B:LEU187 3.8 16.5 1.0
N B:ASP185 3.9 20.2 1.0
N B:GLY183 4.0 17.4 1.0
C B:LYS184 4.1 20.7 1.0
CB B:ASP205 4.1 13.9 1.0
OE1 B:GLU208 4.1 21.2 1.0
CA B:LEU187 4.1 14.5 1.0
OD2 B:ASP182 4.1 21.3 1.0
CA B:ASP185 4.2 17.7 1.0
C B:GLY186 4.3 18.5 1.0
C B:ASP182 4.3 22.1 1.0
N B:ASP182 4.3 16.7 1.0
CA B:GLY183 4.3 17.2 1.0
OD1 B:ASP205 4.4 15.8 1.0
CG B:GLU208 4.4 17.1 1.0
N B:LEU188 4.4 12.6 1.0
N B:LYS184 4.4 18.0 1.0
O B:LYS184 4.4 20.9 1.0
CA B:LYS184 4.5 21.8 1.0
N B:GLY186 4.5 17.6 1.0
CB B:LEU187 4.6 16.3 1.0
CA B:LEU188 4.6 10.3 1.0
CA B:GLY186 4.7 17.4 1.0
CA B:ASP182 4.7 22.3 1.0
O B:ASP182 4.7 22.4 1.0
CB B:ASP182 4.8 23.1 1.0
O B:GLY186 4.9 17.8 1.0
O B:HOH555 4.9 32.0 1.0

Reference:

I.Tranchant, L.Vera, B.Czarny, M.Amoura, E.Cassar, F.Beau, E.A.Stura, V.Dive. Halogen Bonding Controls Selectivity of Fret Substrate Probes For Mmp-9. Chem.Biol. V. 21 408 2014.
ISSN: ISSN 1074-5521
PubMed: 24583051
DOI: 10.1016/J.CHEMBIOL.2014.01.008
Page generated: Sun Jul 14 08:30:43 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy