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Calcium in PDB 5i4o: Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).

Enzymatic activity of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).:
3.4.24.65;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28)., PDB code: 5i4o was solved by E.A.Stura, L.Rosalia, D.Cuffaro, L.Tepshi, L.Ciccone, A.Rossello, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.87 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.980, 63.510, 78.640, 90.00, 102.31, 90.00
R / Rfree (%) 21 / 24.9

Other elements in 5i4o:

The structure of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). also contains other interesting chemical elements:

Zinc (Zn) 8 atoms

Calcium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). (pdb code 5i4o). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28)., PDB code: 5i4o:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in 5i4o

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Calcium binding site 1 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


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 the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:13.4
occ:1.00
 O A:ASP158 2.3 13.9 1.0
O A:HOH615 2.3 22.2 1.0
O A:HOH616 2.3 12.8 1.0
O A:GLY192 2.3 11.3 1.0
O A:GLY190 2.4 18.2 1.0
OD1 A:ASP194 2.4 10.9 1.0
C A:ASP158 3.5 13.8 1.0
CG A:ASP194 3.5 10.8 1.0
O A:HOH658 3.5 37.5 1.0
C A:GLY192 3.5 11.3 1.0
C A:GLY190 3.6 17.6 1.0
OD2 A:ASP194 4.0 12.8 1.0
C A:ILE191 4.0 18.2 1.0
N A:GLY192 4.1 16.3 1.0
O A:ALA157 4.1 17.6 1.0
CA A:ASP158 4.2 15.4 1.0
O A:GLY188 4.2 20.4 1.0
O A:ILE191 4.3 20.6 1.0
N A:ASP194 4.3 9.7 1.0
CA A:GLY192 4.4 12.5 1.0
CA A:ILE191 4.4 19.2 1.0
N A:ILE159 4.5 11.7 1.0
N A:ILE191 4.5 18.2 1.0
N A:GLY193 4.5 9.6 1.0
N A:GLY190 4.5 17.8 1.0
CA A:GLY193 4.6 9.8 1.0
CA A:ILE159 4.6 11.0 1.0
CA A:GLY190 4.6 17.0 1.0
C A:GLY193 4.7 11.1 1.0
CB A:ASP194 4.7 9.6 1.0
C A:SER189 4.7 20.1 1.0
N A:LEU160 4.7 10.3 1.0
O A:HOH720 4.8 37.0 1.0
CH2 A:TRP109 4.8 16.3 1.0
CA A:ASP194 4.8 9.8 1.0
O A:HOH614 4.8 26.6 1.0

Calcium binding site 2 out of 12 in 5i4o

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Calcium binding site 2 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


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 the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca305

b:10.1
occ:1.00
 O A:GLU199 2.3 9.0 1.0
O A:GLU201 2.3 8.1 1.0
O A:HOH655 2.4 16.6 1.0
OE2 A:GLU199 2.4 13.2 1.0
O A:HOH676 2.4 10.6 1.0
OD2 A:ASP124 2.5 11.0 1.0
OD1 A:ASP124 2.7 12.4 1.0
CG A:ASP124 3.0 11.6 1.0
C A:GLU199 3.4 9.8 1.0
CD A:GLU199 3.5 14.1 1.0
C A:GLU201 3.6 9.9 1.0
CG A:GLU199 3.9 12.5 1.0
CA A:GLU199 4.2 10.7 1.0
OG1 A:THR122 4.2 10.3 1.0
CA A:PHE202 4.3 11.5 1.0
C A:ASP200 4.4 10.0 1.0
N A:GLU201 4.4 8.9 1.0
CD1 A:TRP203 4.4 7.9 1.0
N A:ASP200 4.5 10.1 1.0
N A:PHE202 4.5 9.6 1.0
CB A:ASP124 4.5 11.3 1.0
CA A:ASP200 4.5 10.9 1.0
OE1 A:GLU199 4.6 11.7 1.0
O B:ARG110 4.6 62.6 1.0
NH2 A:ARG165 4.6 28.6 1.0
CA A:GLU201 4.6 10.1 1.0
CB A:GLU199 4.7 11.4 1.0
O A:HOH626 4.8 27.3 1.0
N A:TRP203 4.8 11.4 1.0
NE1 A:TRP203 4.9 8.1 1.0
O A:ASP200 4.9 9.5 1.0

Calcium binding site 3 out of 12 in 5i4o

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Calcium binding site 3 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


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 the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca306

b:9.6
occ:1.00
 O A:GLY176 2.1 11.1 1.0
O A:ILE180 2.2 14.4 1.0
OD1 A:ASP175 2.3 9.2 1.0
O A:GLY178 2.3 14.1 1.0
OD2 A:ASP198 2.4 7.3 1.0
OE2 A:GLU201 2.4 17.1 1.0
CG A:ASP175 3.4 11.3 1.0
CG A:ASP198 3.4 7.7 1.0
C A:GLY176 3.4 12.8 1.0
C A:ILE180 3.5 13.1 1.0
C A:GLY178 3.5 17.1 1.0
CD A:GLU201 3.6 14.3 1.0
N A:GLY178 3.9 17.4 1.0
N A:ILE180 3.9 13.0 1.0
OD2 A:ASP175 3.9 10.8 1.0
CB A:ASP198 4.1 8.1 1.0
C A:LYS177 4.1 19.5 1.0
N A:GLY176 4.1 13.8 1.0
N A:ASP175 4.2 11.1 1.0
CA A:ILE180 4.2 14.1 1.0
C A:ASP175 4.3 13.0 1.0
N A:LYS177 4.3 13.6 1.0
OD1 A:ASP198 4.3 6.4 1.0
C A:GLY179 4.4 15.3 1.0
CA A:GLY178 4.4 17.6 1.0
CA A:LYS177 4.4 20.3 1.0
CA A:GLY176 4.4 12.8 1.0
OE1 A:GLU201 4.4 19.7 1.0
N A:GLY179 4.5 15.9 1.0
N A:LEU181 4.5 11.0 1.0
CG A:GLU201 4.5 11.5 1.0
CA A:ASP175 4.6 13.1 1.0
CB A:ASP175 4.6 11.3 1.0
CB A:ILE180 4.7 15.2 1.0
O A:LYS177 4.7 19.4 1.0
CA A:GLY179 4.7 15.8 1.0
O A:ASP175 4.7 14.1 1.0
CA A:LEU181 4.7 10.2 1.0
O C:HOH653 5.0 35.8 1.0
O A:GLY179 5.0 14.0 1.0

Calcium binding site 4 out of 12 in 5i4o

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Calcium binding site 4 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


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 the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca304

b:29.9
occ:1.00
 O B:GLY192 2.3 26.4 1.0
O B:ASP158 2.3 26.5 1.0
O B:HOH624 2.4 23.0 1.0
O B:GLY190 2.4 34.8 1.0
OD1 B:ASP194 2.5 34.7 1.0
C B:GLY192 3.4 29.8 1.0
CG B:ASP194 3.5 36.0 1.0
C B:ASP158 3.5 30.1 1.0
C B:GLY190 3.6 34.5 1.0
OD2 B:ASP194 3.8 37.9 1.0
C B:ILE191 4.0 33.1 1.0
N B:GLY192 4.0 31.2 1.0
CA B:GLY192 4.2 30.7 1.0
N B:ASP194 4.2 29.9 1.0
O B:ILE191 4.2 31.7 1.0
CA B:ASP158 4.3 32.5 1.0
O B:ALA157 4.4 31.1 1.0
CA B:ILE191 4.4 33.9 1.0
N B:ILE191 4.4 34.1 1.0
N B:ILE159 4.5 26.5 1.0
O B:GLY188 4.5 41.0 1.0
N B:GLY193 4.5 28.0 1.0
CA B:GLY190 4.6 37.9 1.0
CA B:ILE159 4.6 30.0 1.0
CH2 B:TRP109 4.7 40.4 1.0
CA B:GLY193 4.7 33.6 1.0
C B:GLY193 4.7 33.9 1.0
CB B:ASP194 4.7 35.0 1.0
N B:GLY190 4.7 36.3 1.0
N B:LEU160 4.7 28.9 1.0
C B:SER189 4.8 42.0 1.0
O B:SER189 4.8 40.4 1.0
CA B:ASP194 4.9 32.5 1.0

Calcium binding site 5 out of 12 in 5i4o

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Calcium binding site 5 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


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 the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca305

b:39.2
occ:1.00
 O B:GLU201 2.3 27.8 1.0
O B:GLU199 2.4 41.5 1.0
OD2 B:ASP124 2.4 26.8 1.0
OE2 B:GLU199 2.6 37.2 1.0
OD1 B:ASP124 2.7 42.1 1.0
CG B:ASP124 2.9 37.7 1.0
C B:GLU199 3.5 35.6 1.0
C B:GLU201 3.5 28.2 1.0
CD B:GLU199 3.7 37.4 1.0
OG1 B:THR122 4.0 44.5 1.0
N B:GLU201 4.1 36.5 1.0
CG B:GLU199 4.2 42.9 1.0
CA B:PHE202 4.2 29.4 1.0
CA B:GLU199 4.2 32.9 1.0
N B:PHE202 4.3 28.2 1.0
CD1 B:TRP203 4.3 26.9 1.0
CB B:ASP124 4.4 38.0 1.0
C B:ASP200 4.4 42.4 1.0
N B:ASP200 4.5 34.4 1.0
CA B:GLU201 4.5 32.7 1.0
CA B:ASP200 4.6 37.6 1.0
N B:TRP203 4.6 27.3 1.0
CB B:GLU199 4.8 40.9 1.0
OE1 B:GLU199 4.8 39.6 1.0
NE1 B:TRP203 4.9 30.5 1.0

Calcium binding site 6 out of 12 in 5i4o

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Calcium binding site 6 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca306

b:34.3
occ:1.00
 OE2 B:GLU201 2.0 31.0 1.0
O B:ILE180 2.3 30.4 1.0
O B:GLY176 2.3 35.2 1.0
OD2 B:ASP198 2.4 31.4 1.0
O B:GLY178 2.6 39.7 1.0
OD1 B:ASP175 2.8 47.2 1.0
CD B:GLU201 3.2 34.5 1.0
C B:ILE180 3.4 35.8 1.0
CG B:ASP198 3.5 31.4 1.0
C B:GLY176 3.5 37.5 1.0
C B:GLY178 3.7 44.0 1.0
N B:GLY178 3.9 42.5 1.0
CG B:ASP175 4.0 38.7 1.0
CB B:ASP198 4.0 27.5 1.0
OE1 B:GLU201 4.1 28.7 1.0
N B:GLY176 4.1 22.2 1.0
CG B:GLU201 4.1 34.1 1.0
N B:ILE180 4.2 44.2 1.0
C B:LYS177 4.2 48.3 1.0
N B:LEU181 4.3 30.2 1.0
CA B:GLY178 4.3 42.0 1.0
CA B:LYS177 4.3 40.3 1.0
CA B:ILE180 4.4 40.7 1.0
CA B:LEU181 4.4 26.4 1.0
N B:LYS177 4.4 40.1 1.0
C B:GLY179 4.4 43.9 1.0
CA B:GLY176 4.4 31.7 1.0
C B:ASP175 4.4 30.3 1.0
OD1 B:ASP198 4.5 32.6 1.0
N B:ASP175 4.6 33.9 1.0
OD2 B:ASP175 4.7 34.1 1.0
N B:GLY179 4.7 40.2 1.0
O B:GLY179 4.7 41.4 1.0
O B:LYS177 4.9 52.7 1.0
CA B:GLY179 4.9 35.5 1.0
O B:ASP175 4.9 33.7 1.0
CB B:ILE180 4.9 40.7 1.0
CA B:ASP175 4.9 38.0 1.0
C B:LEU181 5.0 24.7 1.0

Calcium binding site 7 out of 12 in 5i4o

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Calcium binding site 7 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca304

b:13.4
occ:1.00
 O C:ASP158 2.2 11.7 1.0
OD1 C:ASP194 2.3 11.7 1.0
O C:GLY192 2.3 10.6 1.0
O C:HOH618 2.3 22.6 1.0
O C:HOH627 2.3 20.1 1.0
O C:GLY190 2.4 19.1 1.0
CG C:ASP194 3.4 13.5 1.0
C C:ASP158 3.4 12.2 1.0
O C:HOH615 3.5 34.6 1.0
C C:GLY192 3.5 11.7 1.0
C C:GLY190 3.6 19.6 1.0
OD2 C:ASP194 4.0 12.1 1.0
C C:ILE191 4.0 17.8 1.0
N C:GLY192 4.1 14.8 1.0
O C:ILE191 4.1 18.1 1.0
O C:ALA157 4.2 18.4 1.0
N C:ASP194 4.2 10.8 1.0
CA C:ASP158 4.3 14.7 1.0
O C:GLY188 4.3 20.0 1.0
CA C:GLY192 4.4 13.2 1.0
N C:ILE159 4.4 10.3 1.0
N C:GLY193 4.4 11.1 1.0
CA C:GLY193 4.4 9.9 1.0
CA C:ILE191 4.4 19.6 1.0
N C:ILE191 4.5 20.7 1.0
N C:GLY190 4.5 22.3 1.0
CA C:ILE159 4.6 10.4 1.0
C C:GLY193 4.6 10.9 1.0
CA C:GLY190 4.6 19.3 1.0
CB C:ASP194 4.6 11.9 1.0
N C:LEU160 4.7 9.2 1.0
O C:HOH602 4.8 17.4 1.0
CH2 C:TRP109 4.8 17.6 1.0
CA C:ASP194 4.8 10.4 1.0
C C:SER189 4.8 21.7 1.0

Calcium binding site 8 out of 12 in 5i4o

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Calcium binding site 8 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca305

b:11.6
occ:1.00
 O C:GLU199 2.3 10.5 1.0
O C:GLU201 2.4 11.3 1.0
O C:HOH677 2.4 15.2 1.0
OE2 C:GLU199 2.4 15.1 1.0
OD2 C:ASP124 2.4 11.9 1.0
O C:HOH671 2.6 10.2 1.0
OD1 C:ASP124 2.7 18.6 1.0
CG C:ASP124 3.0 13.6 1.0
C C:GLU199 3.3 10.6 1.0
CD C:GLU199 3.5 13.2 1.0
C C:GLU201 3.6 11.1 1.0
CG C:GLU199 3.8 12.0 1.0
CA C:GLU199 4.0 10.5 1.0
OG1 C:THR122 4.2 10.4 1.0
CA C:PHE202 4.2 12.4 1.0
N C:GLU201 4.3 11.7 1.0
N C:PHE202 4.3 10.0 1.0
N C:ASP200 4.4 11.7 1.0
C C:ASP200 4.4 11.5 1.0
CD1 C:TRP203 4.4 10.2 1.0
CB C:ASP124 4.5 13.0 1.0
CB C:GLU199 4.5 11.4 1.0
CA C:ASP200 4.6 11.8 1.0
NH2 C:ARG165 4.6 26.5 1.0
CA C:GLU201 4.6 12.6 1.0
OE1 C:GLU199 4.7 10.9 1.0
N C:TRP203 4.7 12.3 1.0
O C:ASP200 4.9 10.6 1.0
NE1 C:TRP203 5.0 11.3 1.0

Calcium binding site 9 out of 12 in 5i4o

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Calcium binding site 9 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca306

b:8.3
occ:1.00
 O C:ILE180 2.2 7.5 1.0
O C:GLY176 2.2 10.0 1.0
OE2 C:GLU201 2.2 14.0 1.0
O C:GLY178 2.3 15.3 1.0
OD1 C:ASP175 2.3 9.5 1.0
OD2 C:ASP198 2.4 6.5 1.0
C C:ILE180 3.4 11.9 1.0
CG C:ASP198 3.5 6.1 1.0
CG C:ASP175 3.5 14.4 1.0
C C:GLY176 3.5 12.8 1.0
C C:GLY178 3.5 18.5 1.0
CD C:GLU201 3.5 15.2 1.0
N C:GLY178 3.9 21.6 1.0
N C:ILE180 4.0 14.5 1.0
OD2 C:ASP175 4.0 11.3 1.0
CB C:ASP198 4.1 6.7 1.0
C C:LYS177 4.2 21.4 1.0
N C:GLY176 4.2 14.5 1.0
CA C:ILE180 4.3 14.8 1.0
CA C:GLY178 4.3 19.3 1.0
C C:ASP175 4.3 15.2 1.0
OE1 C:GLU201 4.3 15.1 1.0
N C:ASP175 4.3 13.6 1.0
C C:GLY179 4.3 15.6 1.0
OD1 C:ASP198 4.3 5.0 1.0
CA C:GLY176 4.4 12.1 1.0
N C:LYS177 4.4 14.0 1.0
CG C:GLU201 4.5 13.2 1.0
CA C:LYS177 4.5 18.2 1.0
N C:LEU181 4.5 9.9 1.0
N C:GLY179 4.5 16.2 1.0
O C:LYS177 4.6 27.0 1.0
O C:ASP175 4.6 15.6 1.0
CA C:ASP175 4.6 15.7 1.0
CB C:ASP175 4.7 13.7 1.0
CA C:LEU181 4.7 11.0 1.0
CB C:ILE180 4.7 19.8 1.0
CA C:GLY179 4.7 16.2 1.0
O C:GLY179 4.8 12.6 1.0

Calcium binding site 10 out of 12 in 5i4o

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Calcium binding site 10 out of 12 in the Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of the Catalytic Domain of Mmp-12 in Complex with A Selective Sugar-Conjugated Triazole-Linked Carboxylate Zinc-Chelator Water-Soluble Inhibitor (DC28). within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca304

b:37.1
occ:1.00
 O D:ASP158 2.2 39.0 1.0
O D:GLY190 2.4 36.8 1.0
O D:HOH606 2.5 30.4 1.0
O D:GLY192 2.6 38.0 1.0
OD1 D:ASP194 2.8 39.0 1.0
C D:ASP158 3.3 38.0 1.0
CG D:ASP194 3.4 36.1 1.0
C D:GLY190 3.6 38.0 1.0
OD2 D:ASP194 3.6 33.3 1.0
C D:GLY192 3.8 36.8 1.0
O D:ALA157 3.8 35.1 1.0
CA D:ASP158 4.0 36.3 1.0
C D:ILE191 4.1 41.0 1.0
N D:GLY192 4.1 40.9 1.0
O D:HOH656 4.3 36.8 1.0
N D:ILE159 4.3 36.9 1.0
CA D:ILE191 4.3 41.3 1.0
N D:ILE191 4.4 37.1 1.0
O D:GLY188 4.4 40.8 1.0
N D:ASP194 4.4 41.0 1.0
O D:ILE191 4.4 42.0 1.0
CA D:GLY192 4.5 38.1 1.0
CA D:GLY190 4.6 36.2 1.0
N D:GLY190 4.6 39.4 1.0
CA D:ILE159 4.6 33.7 1.0
CB D:ASP194 4.7 37.1 1.0
C D:ALA157 4.7 39.9 1.0
C D:SER189 4.7 44.6 1.0
N D:GLY193 4.7 35.4 1.0
N D:LEU160 4.8 33.5 1.0
O D:SER189 4.8 47.5 1.0
CA D:GLY193 4.9 40.8 1.0
N D:ASP158 4.9 34.1 1.0
C D:GLY193 4.9 40.5 1.0
CH2 D:TRP109 4.9 49.0 1.0

Reference:

E.Nuti, D.Cuffaro, F.D'andrea, L.Rosalia, L.Tepshi, M.Fabbi, G.Carbotti, S.Ferrini, S.Santamaria, C.Camodeca, L.Ciccone, E.Orlandini, S.Nencetti, E.A.Stura, V.Dive, A.Rossello. Sugar-Based Arylsulfonamide Carboxylates As Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem V. 11 1626 2016.
ISSN: ESSN 1860-7187
PubMed: 27356908
DOI: 10.1002/CMDC.201600235
Page generated: Sun Jul 14 20:21:04 2024

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