Calcium in PDB 2ovz: Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Enzymatic activity of Mmp-9 Active Site Mutant with Phosphinate Inhibitor
All present enzymatic activity of Mmp-9 Active Site Mutant with Phosphinate Inhibitor:
3.4.24.35;
Protein crystallography data
The structure of Mmp-9 Active Site Mutant with Phosphinate Inhibitor, PDB code: 2ovz
was solved by
A.Tochowicz,
W.Bode,
K.Maskos,
P.Goettig,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.80 /
2.00
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
55.850,
55.850,
259.890,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.1 /
25.1
|
Other elements in 2ovz:
The structure of Mmp-9 Active Site Mutant with Phosphinate Inhibitor also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
(pdb code 2ovz). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Mmp-9 Active Site Mutant with Phosphinate Inhibitor, PDB code: 2ovz:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 1 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca446
b:24.3
occ:1.00
|
OE1
|
A:GLU208
|
2.1
|
21.2
|
1.0
|
O
|
A:GLY183
|
2.2
|
29.9
|
1.0
|
O
|
A:ASP185
|
2.2
|
25.6
|
1.0
|
OD1
|
A:ASP205
|
2.3
|
22.9
|
1.0
|
O
|
A:LEU187
|
2.3
|
22.6
|
1.0
|
OD1
|
A:ASP182
|
2.4
|
28.8
|
1.0
|
CD
|
A:GLU208
|
3.3
|
19.9
|
1.0
|
C
|
A:GLY183
|
3.4
|
31.2
|
1.0
|
C
|
A:ASP185
|
3.4
|
25.5
|
1.0
|
C
|
A:LEU187
|
3.4
|
23.6
|
1.0
|
CG
|
A:ASP205
|
3.4
|
26.0
|
1.0
|
CG
|
A:ASP182
|
3.6
|
32.1
|
1.0
|
N
|
A:GLY183
|
3.8
|
30.9
|
1.0
|
N
|
A:LEU187
|
3.8
|
26.2
|
1.0
|
N
|
A:ASP185
|
3.9
|
26.6
|
1.0
|
C
|
A:LYS184
|
4.1
|
30.1
|
1.0
|
CB
|
A:ASP205
|
4.1
|
21.4
|
1.0
|
CA
|
A:ASP185
|
4.1
|
27.7
|
1.0
|
CG
|
A:GLU208
|
4.1
|
26.1
|
1.0
|
OE2
|
A:GLU208
|
4.1
|
18.0
|
1.0
|
CA
|
A:GLY183
|
4.2
|
31.4
|
1.0
|
CA
|
A:LEU187
|
4.2
|
25.0
|
1.0
|
OD2
|
A:ASP182
|
4.2
|
31.2
|
1.0
|
C
|
A:GLY186
|
4.2
|
26.2
|
1.0
|
C
|
A:ASP182
|
4.2
|
30.4
|
1.0
|
N
|
A:ASP182
|
4.3
|
31.4
|
1.0
|
N
|
A:GLY186
|
4.4
|
27.1
|
1.0
|
N
|
A:LYS184
|
4.4
|
30.2
|
1.0
|
OD2
|
A:ASP205
|
4.4
|
24.1
|
1.0
|
N
|
A:LEU188
|
4.4
|
23.3
|
1.0
|
O
|
A:LYS184
|
4.4
|
30.1
|
1.0
|
CA
|
A:GLY186
|
4.5
|
24.0
|
1.0
|
CA
|
A:LEU188
|
4.6
|
22.9
|
1.0
|
CA
|
A:LYS184
|
4.6
|
30.9
|
1.0
|
CA
|
A:ASP182
|
4.6
|
31.1
|
1.0
|
CB
|
A:LEU187
|
4.7
|
24.4
|
1.0
|
O
|
A:HOH529
|
4.7
|
35.3
|
1.0
|
CB
|
A:ASP182
|
4.7
|
31.7
|
1.0
|
O
|
A:ASP182
|
4.8
|
31.3
|
1.0
|
O
|
A:GLY186
|
4.8
|
25.0
|
1.0
|
|
Calcium binding site 2 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 2 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca447
b:34.2
occ:1.00
|
O
|
A:HOH540
|
2.3
|
26.4
|
1.0
|
O
|
A:ASP165
|
2.3
|
24.1
|
1.0
|
O
|
A:GLN199
|
2.4
|
27.8
|
1.0
|
OD1
|
A:ASP201
|
2.5
|
24.6
|
1.0
|
O
|
A:HOH502
|
2.6
|
35.0
|
1.0
|
O
|
A:GLY197
|
2.6
|
32.3
|
1.0
|
C
|
A:ASP165
|
3.5
|
24.2
|
1.0
|
CG
|
A:ASP201
|
3.5
|
25.8
|
1.0
|
C
|
A:GLN199
|
3.5
|
28.4
|
1.0
|
C
|
A:GLY197
|
3.8
|
36.5
|
1.0
|
N
|
A:ASP201
|
4.0
|
23.5
|
1.0
|
O
|
A:ALA164
|
4.0
|
26.3
|
1.0
|
OD2
|
A:ASP201
|
4.1
|
25.4
|
1.0
|
C
|
A:ILE198
|
4.1
|
36.3
|
1.0
|
O
|
A:ILE198
|
4.1
|
34.4
|
1.0
|
C
|
A:GLY200
|
4.2
|
24.5
|
1.0
|
N
|
A:GLN199
|
4.2
|
33.5
|
1.0
|
CA
|
A:ASP165
|
4.3
|
24.1
|
1.0
|
CA
|
A:GLY200
|
4.3
|
24.5
|
1.0
|
N
|
A:GLY200
|
4.4
|
27.7
|
1.0
|
N
|
A:ILE166
|
4.4
|
22.4
|
1.0
|
O
|
A:HOH538
|
4.4
|
37.2
|
1.0
|
O
|
A:GLY195
|
4.4
|
36.5
|
1.0
|
CA
|
A:GLN199
|
4.5
|
32.6
|
1.0
|
CA
|
A:ILE166
|
4.5
|
22.5
|
1.0
|
CA
|
A:ILE198
|
4.5
|
36.9
|
1.0
|
N
|
A:VAL167
|
4.6
|
21.6
|
1.0
|
CB
|
A:ASP201
|
4.6
|
23.5
|
1.0
|
CA
|
A:ASP201
|
4.6
|
22.8
|
1.0
|
N
|
A:ILE198
|
4.7
|
36.4
|
1.0
|
N
|
A:GLY197
|
4.8
|
40.9
|
1.0
|
CG2
|
A:VAL167
|
4.8
|
24.2
|
1.0
|
CH2
|
A:TRP116
|
4.8
|
23.6
|
1.0
|
CA
|
A:GLY197
|
4.8
|
37.8
|
1.0
|
C
|
A:ALA164
|
5.0
|
28.1
|
1.0
|
O
|
A:GLY200
|
5.0
|
24.1
|
1.0
|
|
Calcium binding site 3 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 3 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca448
b:34.7
occ:1.00
|
O
|
A:ASP206
|
2.2
|
23.0
|
1.0
|
O
|
A:GLU208
|
2.3
|
22.3
|
1.0
|
O
|
A:HOH503
|
2.3
|
32.2
|
1.0
|
OD2
|
A:ASP131
|
2.3
|
22.6
|
1.0
|
OD1
|
A:ASP206
|
2.6
|
25.2
|
1.0
|
C
|
A:ASP206
|
3.1
|
26.4
|
1.0
|
CG
|
A:ASP131
|
3.2
|
25.0
|
1.0
|
CG
|
A:ASP206
|
3.4
|
25.2
|
1.0
|
C
|
A:GLU208
|
3.5
|
23.9
|
1.0
|
OD1
|
A:ASP131
|
3.6
|
21.6
|
1.0
|
CA
|
A:ASP206
|
3.7
|
24.1
|
1.0
|
OG
|
A:SER129
|
3.8
|
20.9
|
1.0
|
CD1
|
A:TRP210
|
3.9
|
16.0
|
1.0
|
N
|
A:GLU208
|
4.0
|
25.4
|
1.0
|
CB
|
A:ASP206
|
4.1
|
21.6
|
1.0
|
N
|
A:ASP207
|
4.2
|
26.4
|
1.0
|
OD2
|
A:ASP206
|
4.2
|
26.2
|
1.0
|
C
|
A:ASP207
|
4.2
|
28.1
|
1.0
|
CA
|
A:GLU208
|
4.4
|
23.7
|
1.0
|
N
|
A:LEU209
|
4.4
|
21.5
|
1.0
|
CA
|
A:ASP207
|
4.5
|
27.1
|
1.0
|
CA
|
A:LEU209
|
4.5
|
22.4
|
1.0
|
N
|
A:TRP210
|
4.5
|
20.0
|
1.0
|
CB
|
A:ASP131
|
4.5
|
18.8
|
1.0
|
NE1
|
A:TRP210
|
4.5
|
17.7
|
1.0
|
O
|
A:ASP207
|
4.8
|
26.8
|
1.0
|
CG
|
A:TRP210
|
4.9
|
16.9
|
1.0
|
O
|
A:ASP205
|
4.9
|
21.0
|
1.0
|
|
Calcium binding site 4 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 4 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca449
b:40.9
occ:1.00
|
O
|
A:HOH514
|
2.2
|
21.2
|
1.0
|
O
|
A:LEU212
|
2.3
|
18.6
|
1.0
|
O
|
A:LYS214
|
2.4
|
20.8
|
1.0
|
O
|
A:HOH515
|
2.5
|
19.2
|
1.0
|
O
|
A:GLY213
|
2.7
|
19.4
|
1.0
|
C
|
A:LYS214
|
3.1
|
20.6
|
1.0
|
C
|
A:LEU212
|
3.2
|
21.3
|
1.0
|
OG
|
A:SER211
|
3.2
|
20.2
|
1.0
|
C
|
A:GLY213
|
3.3
|
21.5
|
1.0
|
N
|
A:GLY215
|
3.7
|
22.3
|
1.0
|
CA
|
A:GLY215
|
3.7
|
23.4
|
1.0
|
N
|
A:LEU212
|
3.8
|
19.6
|
1.0
|
CB
|
A:SER211
|
3.9
|
20.2
|
1.0
|
O
|
A:GLN391
|
3.9
|
22.1
|
1.0
|
C
|
A:GLY215
|
3.9
|
23.9
|
1.0
|
N
|
A:LYS214
|
3.9
|
20.1
|
1.0
|
N
|
A:GLY213
|
4.0
|
22.0
|
1.0
|
O
|
A:GLY215
|
4.0
|
24.1
|
1.0
|
CA
|
A:LYS214
|
4.0
|
23.7
|
1.0
|
CA
|
A:GLY213
|
4.1
|
23.6
|
1.0
|
CA
|
A:LEU212
|
4.1
|
21.0
|
1.0
|
O
|
A:HOH553
|
4.2
|
31.5
|
1.0
|
N
|
A:GLN391
|
4.6
|
23.0
|
1.0
|
C
|
A:SER211
|
4.7
|
20.2
|
1.0
|
O
|
A:HOH517
|
4.8
|
20.2
|
1.0
|
C
|
A:GLN391
|
4.8
|
23.6
|
1.0
|
CA
|
A:SER211
|
4.9
|
17.5
|
1.0
|
|
Calcium binding site 5 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 5 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca450
b:44.5
occ:1.00
|
O
|
A:THR152
|
2.3
|
24.8
|
1.0
|
O
|
A:SER149
|
2.3
|
27.5
|
1.0
|
O
|
A:HOH555
|
2.4
|
32.5
|
1.0
|
O
|
A:HOH552
|
2.4
|
28.4
|
1.0
|
O
|
A:HOH548
|
2.4
|
30.9
|
1.0
|
O
|
A:HOH539
|
2.6
|
35.9
|
1.0
|
C
|
A:THR152
|
3.4
|
25.5
|
1.0
|
C
|
A:SER149
|
3.5
|
25.7
|
1.0
|
CA
|
A:PRO153
|
4.1
|
27.9
|
1.0
|
N
|
A:THR152
|
4.2
|
27.6
|
1.0
|
N
|
A:PRO153
|
4.2
|
26.8
|
1.0
|
O
|
A:LEU154
|
4.3
|
23.2
|
1.0
|
CA
|
A:SER149
|
4.4
|
24.8
|
1.0
|
C
|
A:ALA150
|
4.4
|
26.9
|
1.0
|
N
|
A:ALA150
|
4.4
|
25.5
|
1.0
|
CA
|
A:ALA150
|
4.5
|
26.2
|
1.0
|
CA
|
A:THR152
|
4.5
|
24.8
|
1.0
|
C
|
A:PRO153
|
4.5
|
26.6
|
1.0
|
O
|
A:ALA150
|
4.6
|
28.7
|
1.0
|
O
|
A:HOH511
|
4.7
|
31.5
|
1.0
|
N
|
A:LEU154
|
4.7
|
26.8
|
1.0
|
CB
|
A:SER149
|
4.8
|
23.9
|
1.0
|
N
|
A:VAL151
|
4.8
|
26.1
|
1.0
|
|
Calcium binding site 6 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 6 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca446
b:24.2
occ:1.00
|
OE2
|
B:GLU208
|
2.1
|
24.0
|
1.0
|
O
|
B:GLY183
|
2.2
|
29.0
|
1.0
|
O
|
B:LEU187
|
2.2
|
21.7
|
1.0
|
O
|
B:ASP185
|
2.3
|
28.0
|
1.0
|
OD2
|
B:ASP182
|
2.3
|
28.5
|
1.0
|
OD1
|
B:ASP205
|
2.4
|
20.5
|
1.0
|
CD
|
B:GLU208
|
3.3
|
22.7
|
1.0
|
C
|
B:LEU187
|
3.4
|
21.7
|
1.0
|
C
|
B:GLY183
|
3.4
|
28.4
|
1.0
|
CG
|
B:ASP205
|
3.4
|
21.9
|
1.0
|
C
|
B:ASP185
|
3.4
|
28.0
|
1.0
|
CG
|
B:ASP182
|
3.5
|
32.0
|
1.0
|
N
|
B:LEU187
|
3.8
|
24.6
|
1.0
|
N
|
B:ASP185
|
3.9
|
25.7
|
1.0
|
N
|
B:GLY183
|
3.9
|
29.0
|
1.0
|
OD1
|
B:ASP182
|
4.0
|
30.1
|
1.0
|
CB
|
B:ASP205
|
4.1
|
19.9
|
1.0
|
C
|
B:LYS184
|
4.1
|
30.8
|
1.0
|
CA
|
B:LEU187
|
4.1
|
26.2
|
1.0
|
CG
|
B:GLU208
|
4.2
|
24.1
|
1.0
|
C
|
B:ASP182
|
4.2
|
32.3
|
1.0
|
C
|
B:GLY186
|
4.2
|
26.8
|
1.0
|
CA
|
B:ASP185
|
4.2
|
28.4
|
1.0
|
OE1
|
B:GLU208
|
4.2
|
21.2
|
1.0
|
CA
|
B:GLY183
|
4.2
|
30.3
|
1.0
|
N
|
B:LEU188
|
4.4
|
20.5
|
1.0
|
OD2
|
B:ASP205
|
4.4
|
19.2
|
1.0
|
N
|
B:LYS184
|
4.4
|
29.3
|
1.0
|
N
|
B:ASP182
|
4.4
|
29.2
|
1.0
|
O
|
B:LYS184
|
4.4
|
26.7
|
1.0
|
N
|
B:GLY186
|
4.5
|
28.0
|
1.0
|
CA
|
B:LEU188
|
4.6
|
21.2
|
1.0
|
CA
|
B:LYS184
|
4.6
|
31.1
|
1.0
|
CA
|
B:GLY186
|
4.6
|
26.0
|
1.0
|
CB
|
B:LEU187
|
4.6
|
29.4
|
1.0
|
O
|
B:ASP182
|
4.6
|
35.0
|
1.0
|
CA
|
B:ASP182
|
4.6
|
30.1
|
1.0
|
CB
|
B:ASP182
|
4.6
|
29.8
|
1.0
|
O
|
B:GLY186
|
4.7
|
24.8
|
1.0
|
|
Calcium binding site 7 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 7 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca447
b:36.6
occ:1.00
|
O
|
B:ASP165
|
2.3
|
22.3
|
1.0
|
O
|
B:GLN199
|
2.3
|
25.7
|
1.0
|
OD1
|
B:ASP201
|
2.5
|
20.8
|
1.0
|
O
|
B:HOH584
|
2.5
|
24.4
|
1.0
|
O
|
B:HOH524
|
2.6
|
28.4
|
1.0
|
O
|
B:GLY197
|
2.8
|
26.6
|
1.0
|
C
|
B:ASP165
|
3.4
|
21.5
|
1.0
|
C
|
B:GLN199
|
3.4
|
26.1
|
1.0
|
CG
|
B:ASP201
|
3.5
|
21.8
|
1.0
|
O
|
B:ALA164
|
3.9
|
23.9
|
1.0
|
N
|
B:ASP201
|
3.9
|
21.4
|
1.0
|
C
|
B:GLY197
|
4.0
|
28.8
|
1.0
|
C
|
B:ILE198
|
4.1
|
27.8
|
1.0
|
C
|
B:GLY200
|
4.1
|
23.9
|
1.0
|
OD2
|
B:ASP201
|
4.1
|
20.8
|
1.0
|
CA
|
B:GLY200
|
4.1
|
23.3
|
1.0
|
CA
|
B:ASP165
|
4.1
|
20.3
|
1.0
|
N
|
B:GLN199
|
4.2
|
26.8
|
1.0
|
O
|
B:ILE198
|
4.2
|
25.8
|
1.0
|
N
|
B:GLY200
|
4.2
|
24.5
|
1.0
|
O
|
B:HOH567
|
4.3
|
28.0
|
1.0
|
N
|
B:ILE166
|
4.3
|
20.4
|
1.0
|
O
|
B:GLY195
|
4.4
|
29.8
|
1.0
|
CA
|
B:GLN199
|
4.5
|
27.0
|
1.0
|
CA
|
B:ILE166
|
4.5
|
19.3
|
1.0
|
CA
|
B:ILE198
|
4.6
|
29.3
|
1.0
|
N
|
B:VAL167
|
4.6
|
17.4
|
1.0
|
CA
|
B:ASP201
|
4.6
|
22.3
|
1.0
|
CB
|
B:ASP201
|
4.6
|
20.5
|
1.0
|
CH2
|
B:TRP116
|
4.6
|
25.6
|
1.0
|
N
|
B:ILE198
|
4.8
|
27.9
|
1.0
|
O
|
B:GLY200
|
4.8
|
26.4
|
1.0
|
C
|
B:ALA164
|
4.8
|
19.8
|
1.0
|
CG2
|
B:VAL167
|
4.9
|
22.9
|
1.0
|
O
|
B:HOH568
|
4.9
|
53.1
|
1.0
|
N
|
B:ASP165
|
5.0
|
21.5
|
1.0
|
|
Calcium binding site 8 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 8 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca448
b:32.4
occ:1.00
|
O
|
B:GLU208
|
2.3
|
20.6
|
1.0
|
OD2
|
B:ASP131
|
2.3
|
18.4
|
1.0
|
O
|
B:ASP206
|
2.4
|
19.5
|
1.0
|
OD1
|
B:ASP206
|
2.4
|
20.2
|
1.0
|
O
|
B:HOH503
|
2.6
|
49.6
|
1.0
|
O
|
B:HOH564
|
3.1
|
38.2
|
1.0
|
C
|
B:ASP206
|
3.2
|
21.4
|
1.0
|
CG
|
B:ASP131
|
3.2
|
20.8
|
1.0
|
CG
|
B:ASP206
|
3.4
|
22.5
|
1.0
|
C
|
B:GLU208
|
3.5
|
23.0
|
1.0
|
OD1
|
B:ASP131
|
3.6
|
18.1
|
1.0
|
CA
|
B:ASP206
|
3.7
|
21.1
|
1.0
|
O
|
B:HOH559
|
3.9
|
36.3
|
1.0
|
OG
|
B:SER129
|
3.9
|
20.4
|
1.0
|
CD1
|
B:TRP210
|
3.9
|
17.8
|
1.0
|
N
|
B:GLU208
|
4.0
|
22.2
|
1.0
|
CB
|
B:ASP206
|
4.1
|
20.4
|
1.0
|
OD2
|
B:ASP206
|
4.2
|
23.1
|
1.0
|
N
|
B:ASP207
|
4.2
|
23.6
|
1.0
|
CA
|
B:LEU209
|
4.3
|
22.2
|
1.0
|
N
|
B:LEU209
|
4.3
|
20.7
|
1.0
|
C
|
B:ASP207
|
4.3
|
23.9
|
1.0
|
N
|
B:TRP210
|
4.4
|
20.8
|
1.0
|
CA
|
B:GLU208
|
4.4
|
22.7
|
1.0
|
CB
|
B:ASP131
|
4.5
|
20.8
|
1.0
|
NE1
|
B:TRP210
|
4.5
|
18.2
|
1.0
|
O
|
B:HOH546
|
4.6
|
32.3
|
1.0
|
CA
|
B:ASP207
|
4.6
|
24.1
|
1.0
|
C
|
B:LEU209
|
4.8
|
21.3
|
1.0
|
CG
|
B:TRP210
|
4.8
|
17.6
|
1.0
|
O
|
B:ASP207
|
4.9
|
24.1
|
1.0
|
O
|
B:ASP205
|
4.9
|
19.7
|
1.0
|
|
Calcium binding site 9 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 9 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca449
b:38.0
occ:1.00
|
O
|
B:LEU212
|
2.2
|
20.1
|
1.0
|
O
|
B:HOH532
|
2.3
|
20.0
|
1.0
|
O
|
B:LYS214
|
2.4
|
23.1
|
1.0
|
O
|
B:HOH525
|
2.5
|
20.9
|
1.0
|
O
|
B:GLY213
|
3.0
|
19.5
|
1.0
|
OG
|
B:SER211
|
3.0
|
18.9
|
1.0
|
C
|
B:LYS214
|
3.2
|
23.0
|
1.0
|
C
|
B:LEU212
|
3.2
|
19.3
|
1.0
|
C
|
B:GLY213
|
3.4
|
22.8
|
1.0
|
N
|
B:LEU212
|
3.7
|
17.9
|
1.0
|
CB
|
B:SER211
|
3.8
|
17.9
|
1.0
|
CA
|
B:GLY215
|
3.8
|
24.2
|
1.0
|
N
|
B:GLY215
|
3.8
|
23.4
|
1.0
|
O
|
B:GLN391
|
4.0
|
19.5
|
1.0
|
N
|
B:LYS214
|
4.0
|
21.9
|
1.0
|
C
|
B:GLY215
|
4.0
|
23.4
|
1.0
|
N
|
B:GLY213
|
4.0
|
20.6
|
1.0
|
O
|
B:GLY215
|
4.1
|
23.0
|
1.0
|
CA
|
B:LEU212
|
4.1
|
20.2
|
1.0
|
CA
|
B:GLY213
|
4.1
|
19.9
|
1.0
|
CA
|
B:LYS214
|
4.2
|
24.8
|
1.0
|
O
|
B:HOH533
|
4.4
|
23.7
|
1.0
|
C
|
B:SER211
|
4.6
|
18.2
|
1.0
|
N
|
B:GLN391
|
4.6
|
22.9
|
1.0
|
CA
|
B:SER211
|
4.8
|
17.6
|
1.0
|
C
|
B:GLN391
|
4.9
|
22.1
|
1.0
|
|
Calcium binding site 10 out
of 10 in 2ovz
Go back to
Calcium Binding Sites List in 2ovz
Calcium binding site 10 out
of 10 in the Mmp-9 Active Site Mutant with Phosphinate Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Mmp-9 Active Site Mutant with Phosphinate Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca450
b:50.7
occ:1.00
|
O
|
B:SER149
|
2.3
|
28.0
|
1.0
|
O
|
B:THR152
|
2.3
|
31.7
|
1.0
|
O
|
B:HOH522
|
2.3
|
27.8
|
1.0
|
O
|
B:HOH542
|
2.5
|
28.9
|
1.0
|
C
|
B:THR152
|
3.5
|
31.3
|
1.0
|
C
|
B:SER149
|
3.5
|
29.0
|
1.0
|
N
|
B:THR152
|
4.1
|
30.2
|
1.0
|
O
|
B:HOH583
|
4.2
|
40.9
|
1.0
|
CA
|
B:PRO153
|
4.3
|
32.9
|
1.0
|
N
|
B:PRO153
|
4.3
|
33.5
|
1.0
|
O
|
B:LEU154
|
4.3
|
23.7
|
1.0
|
C
|
B:ALA150
|
4.3
|
31.2
|
1.0
|
CA
|
B:SER149
|
4.4
|
28.9
|
1.0
|
CA
|
B:ALA150
|
4.4
|
29.5
|
1.0
|
N
|
B:ALA150
|
4.4
|
29.9
|
1.0
|
CA
|
B:THR152
|
4.4
|
32.3
|
1.0
|
O
|
B:ALA150
|
4.5
|
31.8
|
1.0
|
C
|
B:PRO153
|
4.6
|
32.2
|
1.0
|
CB
|
B:SER149
|
4.7
|
27.9
|
1.0
|
N
|
B:VAL151
|
4.7
|
28.3
|
1.0
|
N
|
B:LEU154
|
4.9
|
29.7
|
1.0
|
|
Reference:
A.Tochowicz,
K.Maskos,
R.Huber,
R.Oltenfreiter,
V.Dive,
A.Yiotakis,
M.Zanda,
W.Bode,
P.Goettig.
Crystal Structures of Mmp-9 Complexes with Five Inhibitors: Contribution of the Flexible ARG424 Side-Chain to Selectivity. J.Mol.Biol. V. 371 989 2007.
ISSN: ISSN 0022-2836
PubMed: 17599356
DOI: 10.1016/J.JMB.2007.05.068
Page generated: Fri Jul 12 14:47:20 2024
|