Calcium in PDB 1mmr: Matrilysin Complexed with Sulfodiimine Inhibitor

All present enzymatic activity of Matrilysin Complexed with Sulfodiimine Inhibitor:
3.4.24.23;

The structure of Matrilysin Complexed with Sulfodiimine Inhibitor, PDB code: 1mmr was solved by M.F.Browner, W.W.Smith, A.L.Castelhano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.100, 62.100, 87.400, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / n/a

The structure of Matrilysin Complexed with Sulfodiimine Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Matrilysin Complexed with Sulfodiimine Inhibitor (pdb code 1mmr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Matrilysin Complexed with Sulfodiimine Inhibitor, PDB code: 1mmr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Matrilysin Complexed with Sulfodiimine Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Matrilysin Complexed with Sulfodiimine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3 b:12.2 occ:1.00 O A:ASP158 2.4 12.4 1.0 O A:GLY192 2.4 14.3 1.0 OD1 A:ASP194 2.4 10.3 1.0 O A:HOH272 2.5 3.2 1.0 O A:GLY190 2.5 13.6 1.0 O A:HOH302 2.5 18.1 1.0 CG A:ASP194 3.3 13.4 1.0 C A:ASP158 3.5 11.6 1.0 OD2 A:ASP194 3.6 13.1 1.0 C A:GLY192 3.6 12.8 1.0 C A:GLY190 3.7 12.7 1.0 O A:ALA157 4.1 10.1 1.0 C A:LEU191 4.1 11.9 1.0 N A:GLY192 4.2 11.7 1.0 N A:ASP194 4.2 10.1 1.0 O A:GLY188 4.3 13.4 1.0 CA A:ASP158 4.3 10.7 1.0 O A:LEU191 4.3 13.4 1.0 O A:HOH299 4.3 29.2 1.0 N A:GLY190 4.4 15.9 1.0 CA A:GLY192 4.5 13.8 1.0 C A:GLY193 4.5 11.6 1.0 N A:ILE159 4.5 10.7 1.0 CA A:GLY190 4.5 14.0 1.0 N A:LEU191 4.5 12.9 1.0 N A:GLY193 4.5 13.5 1.0 CA A:LEU191 4.6 13.7 1.0 N A:MET160 4.6 7.3 1.0 O A:HOH273 4.6 8.1 1.0 CA A:GLY193 4.6 12.8 1.0 CG A:MET160 4.6 11.4 1.0 CB A:ASP194 4.6 10.3 1.0 O A:HOH301 4.6 28.2 1.0 CA A:ILE159 4.7 8.2 1.0 C A:THR189 4.7 17.7 1.0 CA A:ASP194 4.8 10.7 1.0 O A:HOH300 4.8 18.8 1.0 CH2 A:TRP109 4.9 14.8 1.0 O A:THR189 5.0 18.9 1.0

Calcium binding site 2 out of 2 in the Matrilysin Complexed with Sulfodiimine Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Matrilysin Complexed with Sulfodiimine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca4 b:11.1 occ:1.00 O A:GLY176 2.3 10.8 1.0 O A:THR180 2.4 7.8 1.0 O A:GLY178 2.4 12.5 1.0 OE2 A:GLU201 2.4 7.0 1.0 OD1 A:ASP175 2.4 8.6 1.0 OD2 A:ASP198 2.4 8.7 1.0 CG A:ASP198 3.4 9.8 1.0 C A:THR180 3.5 8.1 1.0 C A:GLY178 3.5 12.2 1.0 CD A:GLU201 3.6 8.9 1.0 CG A:ASP175 3.6 11.9 1.0 C A:GLY176 3.6 9.5 1.0 N A:GLY178 3.8 10.5 1.0 CB A:ASP198 3.9 10.6 1.0 C A:PRO177 4.0 10.7 1.0 OD2 A:ASP175 4.1 13.7 1.0 N A:THR180 4.1 8.0 1.0 N A:GLY176 4.1 9.9 1.0 OE1 A:GLU201 4.2 7.4 1.0 CA A:GLY178 4.2 10.9 1.0 OD1 A:ASP198 4.3 10.5 1.0 C A:ASP175 4.3 9.6 1.0 CA A:THR180 4.3 8.1 1.0 N A:LEU181 4.3 8.0 1.0 C A:ASN179 4.4 10.7 1.0 CA A:PRO177 4.4 8.4 1.0 N A:PRO177 4.4 9.0 1.0 N A:ASP175 4.4 12.2 1.0 CA A:LEU181 4.5 8.4 1.0 O A:PRO177 4.5 11.9 1.0 CA A:GLY176 4.5 8.9 1.0 CG A:GLU201 4.5 4.7 1.0 N A:ASN179 4.6 12.4 1.0 O A:ASP175 4.7 13.4 1.0 CA A:ASP175 4.7 10.7 1.0 CB A:ASP175 4.7 10.2 1.0 O A:ASN179 4.8 8.4 1.0 CB A:THR180 4.8 9.0 1.0 CA A:ASN179 4.9 11.4 1.0 CB A:ASN179 4.9 14.3 1.0 CD1 A:LEU181 5.0 7.6 1.0

M.F.Browner, W.W.Smith, A.L.Castelhano. Matrilysin-Inhibitor Complexes: Common Themes Among Metalloproteases. Biochemistry V. 34 6602 1995.
ISSN: ISSN 0006-2960
PubMed: 7756291
DOI: 10.1021/BI00020A004