Calcium in PDB 3o2x: Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
Protein crystallography data
The structure of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor, PDB code: 3o2x
was solved by
J.R.Kiefer,
T.E.Barta,
D.P.Becker,
K.J.Mathis,
J.Williams,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
19.72 /
1.90
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.864,
95.257,
120.076,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.7 /
21
|
Other elements in 3o2x:
The structure of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
(pdb code 3o2x). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Mmp-13 in Complex with Selective Tetrazole Core Inhibitor, PDB code: 3o2x:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 3o2x
Go back to
Calcium Binding Sites List in 3o2x
Calcium binding site 1 out
of 8 in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1996
b:37.7
occ:1.00
|
O
|
A:ASN1194
|
2.5
|
17.4
|
1.0
|
|
O
|
A:HOH479
|
2.7
|
22.7
|
1.0
|
|
OD1
|
A:ASP1198
|
2.9
|
8.7
|
1.0
|
|
O
|
A:HOH167
|
3.1
|
8.7
|
1.0
|
|
O
|
A:ASP1162
|
3.1
|
9.1
|
1.0
|
|
O
|
A:GLY1196
|
3.2
|
11.8
|
1.0
|
|
O
|
A:HOH201
|
3.6
|
15.0
|
1.0
|
|
C
|
A:ASN1194
|
3.6
|
17.2
|
1.0
|
|
CG
|
A:ASP1198
|
3.6
|
9.0
|
1.0
|
|
O
|
A:ALA1161
|
3.7
|
9.7
|
1.0
|
|
OD2
|
A:ASP1198
|
3.8
|
9.0
|
1.0
|
|
C
|
A:ASP1162
|
3.9
|
8.8
|
1.0
|
|
C
|
A:TYR1195
|
4.1
|
15.3
|
1.0
|
|
CG
|
A:MET1164
|
4.1
|
9.2
|
1.0
|
|
C
|
A:GLY1196
|
4.3
|
12.2
|
1.0
|
|
N
|
A:GLY1196
|
4.3
|
14.1
|
1.0
|
|
CA
|
A:TYR1195
|
4.3
|
16.4
|
1.0
|
|
O
|
A:TYR1195
|
4.3
|
14.7
|
1.0
|
|
N
|
A:TYR1195
|
4.4
|
16.7
|
1.0
|
|
CA
|
A:ASP1162
|
4.6
|
9.0
|
1.0
|
|
N
|
A:MET1164
|
4.6
|
8.8
|
1.0
|
|
CA
|
A:ASN1194
|
4.6
|
17.6
|
1.0
|
|
N
|
A:ILE1163
|
4.7
|
8.9
|
1.0
|
|
C
|
A:ALA1161
|
4.8
|
9.3
|
1.0
|
|
CA
|
A:GLY1196
|
4.9
|
13.0
|
1.0
|
|
CB
|
A:MET1164
|
4.9
|
8.8
|
1.0
|
|
N
|
A:ASP1198
|
4.9
|
9.6
|
1.0
|
|
CA
|
A:ILE1163
|
4.9
|
8.7
|
1.0
|
|
CB
|
A:ASP1198
|
5.0
|
9.6
|
1.0
|
|
Calcium binding site 2 out
of 8 in 3o2x
Go back to
Calcium Binding Sites List in 3o2x
Calcium binding site 2 out
of 8 in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1997
b:6.7
occ:1.00
|
OE2
|
A:GLU1205
|
2.2
|
9.9
|
1.0
|
|
O
|
A:GLY1180
|
2.3
|
7.4
|
1.0
|
|
OD2
|
A:ASP1202
|
2.3
|
5.2
|
1.0
|
|
O
|
A:SER1182
|
2.3
|
7.7
|
1.0
|
|
O
|
A:LEU1184
|
2.3
|
8.4
|
1.0
|
|
OD1
|
A:ASP1179
|
2.4
|
6.8
|
1.0
|
|
CG
|
A:ASP1202
|
3.4
|
6.8
|
1.0
|
|
CD
|
A:GLU1205
|
3.4
|
8.9
|
1.0
|
|
C
|
A:LEU1184
|
3.5
|
8.5
|
1.0
|
|
C
|
A:GLY1180
|
3.5
|
7.2
|
1.0
|
|
C
|
A:SER1182
|
3.5
|
8.0
|
1.0
|
|
CG
|
A:ASP1179
|
3.6
|
7.6
|
1.0
|
|
N
|
A:LEU1184
|
3.8
|
8.6
|
1.0
|
|
N
|
A:SER1182
|
4.0
|
7.7
|
1.0
|
|
CB
|
A:ASP1202
|
4.1
|
7.4
|
1.0
|
|
C
|
A:PRO1181
|
4.1
|
7.3
|
1.0
|
|
N
|
A:GLY1180
|
4.1
|
6.8
|
1.0
|
|
CA
|
A:LEU1184
|
4.1
|
8.6
|
1.0
|
|
OD2
|
A:ASP1179
|
4.2
|
8.7
|
1.0
|
|
C
|
A:GLY1183
|
4.2
|
8.6
|
1.0
|
|
OE1
|
A:GLU1205
|
4.3
|
9.1
|
1.0
|
|
N
|
A:ASP1179
|
4.3
|
6.5
|
1.0
|
|
C
|
A:ASP1179
|
4.3
|
6.8
|
1.0
|
|
OD1
|
A:ASP1202
|
4.3
|
7.3
|
1.0
|
|
CG
|
A:GLU1205
|
4.3
|
8.7
|
1.0
|
|
CA
|
A:SER1182
|
4.3
|
7.8
|
1.0
|
|
N
|
A:PRO1181
|
4.4
|
7.3
|
1.0
|
|
CA
|
A:PRO1181
|
4.4
|
7.4
|
1.0
|
|
CA
|
A:GLY1180
|
4.4
|
7.1
|
1.0
|
|
CB
|
A:LEU1184
|
4.5
|
8.6
|
1.0
|
|
O
|
A:HOH223
|
4.5
|
21.4
|
1.0
|
|
N
|
A:GLY1183
|
4.5
|
8.3
|
1.0
|
|
O
|
A:PRO1181
|
4.5
|
7.3
|
1.0
|
|
N
|
A:LEU1185
|
4.6
|
8.2
|
1.0
|
|
CA
|
A:GLY1183
|
4.6
|
8.5
|
1.0
|
|
CA
|
A:ASP1179
|
4.6
|
6.7
|
1.0
|
|
CB
|
A:ASP1179
|
4.7
|
6.9
|
1.0
|
|
O
|
A:GLY1183
|
4.7
|
8.8
|
1.0
|
|
O
|
A:ASP1179
|
4.8
|
6.5
|
1.0
|
|
CA
|
A:LEU1185
|
4.8
|
8.1
|
1.0
|
|
Calcium binding site 3 out
of 8 in 3o2x
Go back to
Calcium Binding Sites List in 3o2x
Calcium binding site 3 out
of 8 in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2996
b:34.6
occ:1.00
|
O
|
B:ASN2194
|
2.7
|
17.3
|
1.0
|
|
OD1
|
B:ASP2198
|
2.7
|
9.4
|
1.0
|
|
O
|
B:HOH435
|
2.8
|
13.8
|
1.0
|
|
O
|
B:GLY2196
|
2.9
|
12.6
|
1.0
|
|
O
|
B:HOH92
|
3.1
|
7.8
|
1.0
|
|
O
|
B:ASP2162
|
3.2
|
7.6
|
1.0
|
|
CG
|
B:ASP2198
|
3.4
|
10.0
|
1.0
|
|
OD2
|
B:ASP2198
|
3.6
|
9.7
|
1.0
|
|
O
|
B:HOH308
|
3.6
|
11.1
|
1.0
|
|
O
|
B:HOH461
|
3.8
|
29.1
|
1.0
|
|
C
|
B:ASN2194
|
3.8
|
17.2
|
1.0
|
|
C
|
B:TYR2195
|
3.9
|
15.4
|
1.0
|
|
C
|
B:GLY2196
|
4.0
|
12.9
|
1.0
|
|
CG
|
B:MET2164
|
4.1
|
8.0
|
1.0
|
|
O
|
B:ALA2161
|
4.1
|
7.0
|
1.0
|
|
N
|
B:GLY2196
|
4.1
|
14.4
|
1.0
|
|
CA
|
B:TYR2195
|
4.1
|
16.5
|
1.0
|
|
O
|
B:TYR2195
|
4.2
|
14.8
|
1.0
|
|
C
|
B:ASP2162
|
4.2
|
7.2
|
1.0
|
|
O
|
B:HOH361
|
4.3
|
10.4
|
1.0
|
|
N
|
B:TYR2195
|
4.4
|
16.8
|
1.0
|
|
CA
|
B:GLY2196
|
4.6
|
13.6
|
1.0
|
|
N
|
B:ASP2198
|
4.7
|
10.4
|
1.0
|
|
N
|
B:MET2164
|
4.7
|
7.8
|
1.0
|
|
CB
|
B:ASP2198
|
4.8
|
9.9
|
1.0
|
|
CB
|
B:MET2164
|
4.8
|
7.8
|
1.0
|
|
CA
|
B:ASP2162
|
4.9
|
7.0
|
1.0
|
|
CA
|
B:ASN2194
|
5.0
|
17.4
|
1.0
|
|
Calcium binding site 4 out
of 8 in 3o2x
Go back to
Calcium Binding Sites List in 3o2x
Calcium binding site 4 out
of 8 in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2997
b:11.9
occ:1.00
|
OE2
|
B:GLU2205
|
2.2
|
10.8
|
1.0
|
|
O
|
B:GLY2180
|
2.2
|
10.5
|
1.0
|
|
OD2
|
B:ASP2202
|
2.3
|
5.6
|
1.0
|
|
OD1
|
B:ASP2179
|
2.3
|
9.3
|
1.0
|
|
O
|
B:LEU2184
|
2.4
|
9.9
|
1.0
|
|
O
|
B:SER2182
|
2.4
|
11.7
|
1.0
|
|
CD
|
B:GLU2205
|
3.4
|
8.6
|
1.0
|
|
CG
|
B:ASP2202
|
3.5
|
7.3
|
1.0
|
|
C
|
B:GLY2180
|
3.5
|
10.5
|
1.0
|
|
C
|
B:LEU2184
|
3.5
|
10.0
|
1.0
|
|
CG
|
B:ASP2179
|
3.5
|
9.7
|
1.0
|
|
C
|
B:SER2182
|
3.5
|
11.7
|
1.0
|
|
N
|
B:LEU2184
|
3.8
|
10.7
|
1.0
|
|
N
|
B:SER2182
|
4.0
|
11.8
|
1.0
|
|
N
|
B:GLY2180
|
4.0
|
9.7
|
1.0
|
|
C
|
B:PRO2181
|
4.1
|
11.5
|
1.0
|
|
OD2
|
B:ASP2179
|
4.1
|
9.7
|
1.0
|
|
CA
|
B:LEU2184
|
4.2
|
10.5
|
1.0
|
|
CB
|
B:ASP2202
|
4.2
|
7.2
|
1.0
|
|
N
|
B:ASP2179
|
4.2
|
8.8
|
1.0
|
|
C
|
B:ASP2179
|
4.2
|
9.5
|
1.0
|
|
C
|
B:GLY2183
|
4.2
|
11.1
|
1.0
|
|
OE1
|
B:GLU2205
|
4.2
|
8.0
|
1.0
|
|
CG
|
B:GLU2205
|
4.3
|
7.3
|
1.0
|
|
CA
|
B:SER2182
|
4.3
|
12.0
|
1.0
|
|
OD1
|
B:ASP2202
|
4.4
|
7.7
|
1.0
|
|
CA
|
B:GLY2180
|
4.4
|
10.2
|
1.0
|
|
N
|
B:PRO2181
|
4.4
|
10.9
|
1.0
|
|
O
|
B:HOH730
|
4.4
|
25.9
|
1.0
|
|
O
|
B:PRO2181
|
4.5
|
11.2
|
1.0
|
|
CA
|
B:PRO2181
|
4.5
|
11.2
|
1.0
|
|
N
|
B:GLY2183
|
4.5
|
11.5
|
1.0
|
|
N
|
B:LEU2185
|
4.5
|
9.2
|
1.0
|
|
CB
|
B:LEU2184
|
4.5
|
10.7
|
1.0
|
|
CA
|
B:ASP2179
|
4.6
|
9.1
|
1.0
|
|
CA
|
B:GLY2183
|
4.6
|
11.4
|
1.0
|
|
CB
|
B:ASP2179
|
4.6
|
9.2
|
1.0
|
|
O
|
B:ASP2179
|
4.7
|
9.4
|
1.0
|
|
CA
|
B:LEU2185
|
4.8
|
8.9
|
1.0
|
|
O
|
B:GLY2183
|
4.8
|
11.2
|
1.0
|
|
Calcium binding site 5 out
of 8 in 3o2x
Go back to
Calcium Binding Sites List in 3o2x
Calcium binding site 5 out
of 8 in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1996
b:35.4
occ:1.00
|
O
|
C:HOH256
|
2.6
|
13.1
|
1.0
|
|
O
|
C:ASN1194
|
2.6
|
10.4
|
1.0
|
|
OD1
|
C:ASP1198
|
2.7
|
9.2
|
1.0
|
|
O
|
C:HOH185
|
3.1
|
6.8
|
1.0
|
|
O
|
C:ASP1162
|
3.1
|
8.1
|
1.0
|
|
O
|
C:GLY1196
|
3.2
|
9.0
|
1.0
|
|
O
|
C:HOH44
|
3.5
|
6.9
|
1.0
|
|
CG
|
C:ASP1198
|
3.5
|
8.2
|
1.0
|
|
OD2
|
C:ASP1198
|
3.7
|
8.9
|
1.0
|
|
C
|
C:ASN1194
|
3.7
|
10.3
|
1.0
|
|
C
|
C:TYR1195
|
3.7
|
9.7
|
1.0
|
|
O
|
C:TYR1195
|
3.9
|
9.4
|
1.0
|
|
CA
|
C:TYR1195
|
4.0
|
9.9
|
1.0
|
|
O
|
C:ALA1161
|
4.0
|
7.4
|
1.0
|
|
C
|
C:ASP1162
|
4.0
|
7.7
|
1.0
|
|
N
|
C:GLY1196
|
4.1
|
9.4
|
1.0
|
|
C
|
C:GLY1196
|
4.2
|
9.0
|
1.0
|
|
CG
|
C:MET1164
|
4.3
|
8.5
|
1.0
|
|
N
|
C:TYR1195
|
4.3
|
10.1
|
1.0
|
|
O
|
C:HOH758
|
4.5
|
18.0
|
1.0
|
|
CA
|
C:GLY1196
|
4.7
|
9.3
|
1.0
|
|
CA
|
C:ASP1162
|
4.7
|
7.4
|
1.0
|
|
N
|
C:ASP1198
|
4.7
|
8.3
|
1.0
|
|
N
|
C:MET1164
|
4.8
|
8.3
|
1.0
|
|
CB
|
C:ASP1198
|
4.8
|
8.5
|
1.0
|
|
CA
|
C:ASN1194
|
4.9
|
10.3
|
1.0
|
|
N
|
C:ILE1163
|
4.9
|
7.8
|
1.0
|
|
CB
|
C:MET1164
|
5.0
|
8.6
|
1.0
|
|
N
|
C:ASN1194
|
5.0
|
10.3
|
1.0
|
|
Calcium binding site 6 out
of 8 in 3o2x
Go back to
Calcium Binding Sites List in 3o2x
Calcium binding site 6 out
of 8 in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1997
b:8.0
occ:1.00
|
OE2
|
C:GLU1205
|
2.2
|
10.9
|
1.0
|
|
O
|
C:LEU1184
|
2.3
|
8.6
|
1.0
|
|
OD2
|
C:ASP1202
|
2.3
|
7.7
|
1.0
|
|
O
|
C:GLY1180
|
2.3
|
7.3
|
1.0
|
|
O
|
C:SER1182
|
2.4
|
8.4
|
1.0
|
|
OD1
|
C:ASP1179
|
2.4
|
6.2
|
1.0
|
|
CG
|
C:ASP1202
|
3.4
|
7.6
|
1.0
|
|
C
|
C:LEU1184
|
3.4
|
8.1
|
1.0
|
|
CD
|
C:GLU1205
|
3.4
|
10.4
|
1.0
|
|
C
|
C:GLY1180
|
3.5
|
7.4
|
1.0
|
|
C
|
C:SER1182
|
3.5
|
8.5
|
1.0
|
|
CG
|
C:ASP1179
|
3.6
|
7.7
|
1.0
|
|
N
|
C:SER1182
|
3.9
|
8.0
|
1.0
|
|
N
|
C:LEU1184
|
3.9
|
7.9
|
1.0
|
|
C
|
C:PRO1181
|
4.0
|
7.6
|
1.0
|
|
CB
|
C:ASP1202
|
4.0
|
8.2
|
1.0
|
|
CA
|
C:LEU1184
|
4.1
|
8.1
|
1.0
|
|
OD2
|
C:ASP1179
|
4.1
|
8.2
|
1.0
|
|
OE1
|
C:GLU1205
|
4.2
|
11.3
|
1.0
|
|
N
|
C:GLY1180
|
4.2
|
7.6
|
1.0
|
|
C
|
C:GLY1183
|
4.3
|
8.2
|
1.0
|
|
CA
|
C:SER1182
|
4.3
|
8.5
|
1.0
|
|
OD1
|
C:ASP1202
|
4.3
|
6.5
|
1.0
|
|
N
|
C:ASP1179
|
4.3
|
7.3
|
1.0
|
|
CA
|
C:PRO1181
|
4.3
|
7.4
|
1.0
|
|
O
|
C:PRO1181
|
4.4
|
7.4
|
1.0
|
|
CG
|
C:GLU1205
|
4.4
|
9.7
|
1.0
|
|
N
|
C:PRO1181
|
4.4
|
7.3
|
1.0
|
|
C
|
C:ASP1179
|
4.4
|
7.5
|
1.0
|
|
CB
|
C:LEU1184
|
4.5
|
8.0
|
1.0
|
|
N
|
C:LEU1185
|
4.5
|
7.9
|
1.0
|
|
CA
|
C:GLY1180
|
4.5
|
7.6
|
1.0
|
|
N
|
C:GLY1183
|
4.5
|
8.5
|
1.0
|
|
O
|
C:HOH118
|
4.6
|
18.4
|
1.0
|
|
CA
|
C:ASP1179
|
4.7
|
7.5
|
1.0
|
|
CA
|
C:GLY1183
|
4.7
|
8.3
|
1.0
|
|
CA
|
C:LEU1185
|
4.7
|
7.8
|
1.0
|
|
CB
|
C:ASP1179
|
4.8
|
7.3
|
1.0
|
|
O
|
C:GLY1183
|
4.8
|
7.7
|
1.0
|
|
O
|
C:ASP1179
|
4.9
|
7.7
|
1.0
|
|
Calcium binding site 7 out
of 8 in 3o2x
Go back to
Calcium Binding Sites List in 3o2x
Calcium binding site 7 out
of 8 in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca2996
b:37.2
occ:1.00
|
O
|
D:HOH62
|
2.5
|
16.9
|
1.0
|
|
OD1
|
D:ASP2198
|
2.7
|
6.8
|
1.0
|
|
O
|
D:ASN2194
|
2.7
|
9.3
|
1.0
|
|
O
|
D:ASP2162
|
3.1
|
8.8
|
1.0
|
|
O
|
D:HOH16
|
3.2
|
5.4
|
1.0
|
|
O
|
D:GLY2196
|
3.3
|
8.2
|
1.0
|
|
CG
|
D:ASP2198
|
3.4
|
7.9
|
1.0
|
|
O
|
D:HOH72
|
3.5
|
13.0
|
1.0
|
|
OD2
|
D:ASP2198
|
3.6
|
7.4
|
1.0
|
|
O
|
D:ALA2161
|
3.8
|
8.3
|
1.0
|
|
C
|
D:ASN2194
|
3.8
|
9.2
|
1.0
|
|
C
|
D:TYR2195
|
3.9
|
8.5
|
1.0
|
|
C
|
D:ASP2162
|
3.9
|
8.4
|
1.0
|
|
CG
|
D:MET2164
|
4.0
|
8.3
|
1.0
|
|
CA
|
D:TYR2195
|
4.1
|
8.7
|
1.0
|
|
O
|
D:TYR2195
|
4.1
|
8.6
|
1.0
|
|
N
|
D:GLY2196
|
4.2
|
8.2
|
1.0
|
|
C
|
D:GLY2196
|
4.3
|
7.8
|
1.0
|
|
N
|
D:TYR2195
|
4.4
|
8.9
|
1.0
|
|
N
|
D:MET2164
|
4.6
|
8.1
|
1.0
|
|
CA
|
D:ASP2162
|
4.7
|
8.3
|
1.0
|
|
N
|
D:ILE2163
|
4.8
|
8.3
|
1.0
|
|
CB
|
D:ASP2198
|
4.8
|
7.5
|
1.0
|
|
N
|
D:ASP2198
|
4.8
|
7.3
|
1.0
|
|
CB
|
D:MET2164
|
4.8
|
8.3
|
1.0
|
|
CA
|
D:GLY2196
|
4.9
|
8.2
|
1.0
|
|
C
|
D:ALA2161
|
4.9
|
7.7
|
1.0
|
|
CA
|
D:ILE2163
|
5.0
|
8.2
|
1.0
|
|
CA
|
D:ASN2194
|
5.0
|
9.4
|
1.0
|
|
Calcium binding site 8 out
of 8 in 3o2x
Go back to
Calcium Binding Sites List in 3o2x
Calcium binding site 8 out
of 8 in the Mmp-13 in Complex with Selective Tetrazole Core Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Mmp-13 in Complex with Selective Tetrazole Core Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca2997
b:7.2
occ:1.00
|
O
|
D:LEU2184
|
2.2
|
9.3
|
1.0
|
|
OE2
|
D:GLU2205
|
2.3
|
9.8
|
1.0
|
|
OD2
|
D:ASP2202
|
2.3
|
6.1
|
1.0
|
|
OD1
|
D:ASP2179
|
2.3
|
6.5
|
1.0
|
|
O
|
D:GLY2180
|
2.3
|
8.0
|
1.0
|
|
O
|
D:SER2182
|
2.3
|
9.2
|
1.0
|
|
CG
|
D:ASP2202
|
3.4
|
7.4
|
1.0
|
|
C
|
D:LEU2184
|
3.4
|
9.1
|
1.0
|
|
CG
|
D:ASP2179
|
3.5
|
6.8
|
1.0
|
|
C
|
D:SER2182
|
3.5
|
9.5
|
1.0
|
|
CD
|
D:GLU2205
|
3.5
|
9.7
|
1.0
|
|
C
|
D:GLY2180
|
3.6
|
8.0
|
1.0
|
|
N
|
D:LEU2184
|
3.8
|
9.1
|
1.0
|
|
N
|
D:SER2182
|
3.9
|
9.3
|
1.0
|
|
OD2
|
D:ASP2179
|
4.1
|
6.7
|
1.0
|
|
CB
|
D:ASP2202
|
4.1
|
7.8
|
1.0
|
|
C
|
D:PRO2181
|
4.1
|
8.8
|
1.0
|
|
CA
|
D:LEU2184
|
4.1
|
9.2
|
1.0
|
|
N
|
D:GLY2180
|
4.2
|
7.2
|
1.0
|
|
C
|
D:GLY2183
|
4.2
|
9.1
|
1.0
|
|
N
|
D:ASP2179
|
4.2
|
7.0
|
1.0
|
|
CA
|
D:SER2182
|
4.3
|
9.8
|
1.0
|
|
OE1
|
D:GLU2205
|
4.3
|
9.6
|
1.0
|
|
OD1
|
D:ASP2202
|
4.3
|
6.9
|
1.0
|
|
C
|
D:ASP2179
|
4.3
|
7.1
|
1.0
|
|
CB
|
D:LEU2184
|
4.4
|
9.4
|
1.0
|
|
CG
|
D:GLU2205
|
4.4
|
8.8
|
1.0
|
|
CA
|
D:PRO2181
|
4.4
|
8.6
|
1.0
|
|
N
|
D:PRO2181
|
4.5
|
8.2
|
1.0
|
|
N
|
D:LEU2185
|
4.5
|
8.6
|
1.0
|
|
CA
|
D:GLY2180
|
4.5
|
7.6
|
1.0
|
|
N
|
D:GLY2183
|
4.5
|
9.1
|
1.0
|
|
O
|
D:PRO2181
|
4.5
|
8.7
|
1.0
|
|
CA
|
D:ASP2179
|
4.6
|
7.0
|
1.0
|
|
CA
|
D:GLY2183
|
4.6
|
9.2
|
1.0
|
|
CB
|
D:ASP2179
|
4.7
|
6.8
|
1.0
|
|
O
|
D:GLY2183
|
4.7
|
9.0
|
1.0
|
|
CA
|
D:LEU2185
|
4.8
|
8.6
|
1.0
|
|
O
|
D:ASP2179
|
4.8
|
6.9
|
1.0
|
|
Reference:
T.E.Barta,
D.P.Becker,
L.J.Bedell,
S.L.Hockerman,
J.R.Kiefer,
M.H.Li,
C.I.Villamill,
J.G.Rico,
J.J.Mcdonald.
Mmp-13 in Complex with Selective Tetrazole Core Inhibitor To Be Published.
Page generated: Sat Jul 13 15:12:05 2024
|
