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Calcium in PDB 1mmr: Matrilysin Complexed with Sulfodiimine Inhibitor

Enzymatic activity of Matrilysin Complexed with Sulfodiimine Inhibitor

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

Protein crystallography data

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

Other elements in 1mmr:

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

Zinc (Zn) 2 atoms

Calcium Binding Sites:

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 1mmr

Go back to Calcium Binding Sites List in 1mmr
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 1mmr

Go back to Calcium Binding Sites List in 1mmr
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

Reference:

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
Page generated: Sat Dec 12 03:07:09 2020

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