Calcium in PDB 2z2d: Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor
Enzymatic activity of Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor
All present enzymatic activity of Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor:
3.4.24.65;
Other elements in 2z2d:
The structure of Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor
(pdb code 2z2d). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the
Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor, PDB code: 2z2d:
Jump to Calcium binding site number:
1;
2;
3;
Calcium binding site 1 out
of 3 in 2z2d
Go back to
Calcium Binding Sites List in 2z2d
Calcium binding site 1 out
of 3 in the Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca266
b:2.0
occ:1.00
|
OE1
|
A:GLU201
|
2.0
|
-0.9
|
1.0
|
O
|
A:ILE180
|
2.1
|
-0.6
|
1.0
|
OD1
|
A:ASP198
|
2.2
|
-0.9
|
1.0
|
O
|
A:GLY178
|
2.3
|
-0.6
|
1.0
|
OD2
|
A:ASP198
|
2.5
|
-0.9
|
1.0
|
CG
|
A:ASP198
|
2.5
|
0.9
|
1.0
|
OD1
|
A:ASP175
|
2.7
|
-0.9
|
1.0
|
CD
|
A:GLU201
|
3.0
|
0.9
|
1.0
|
HG13
|
A:ILE180
|
3.0
|
0.0
|
1.0
|
HA
|
A:LEU181
|
3.1
|
0.0
|
1.0
|
H
|
A:GLY178
|
3.2
|
0.4
|
1.0
|
HB3
|
A:GLU201
|
3.2
|
0.0
|
1.0
|
C
|
A:ILE180
|
3.3
|
0.6
|
1.0
|
C
|
A:GLY178
|
3.4
|
0.6
|
1.0
|
HD21
|
A:LEU181
|
3.4
|
0.0
|
1.0
|
HB2
|
A:ASP198
|
3.4
|
0.0
|
1.0
|
CB
|
A:ASP198
|
3.6
|
-0.1
|
1.0
|
OE2
|
A:GLU201
|
3.6
|
-0.9
|
1.0
|
CG
|
A:ASP175
|
3.7
|
0.9
|
1.0
|
N
|
A:GLY178
|
3.8
|
-0.7
|
1.0
|
HB2
|
A:GLU201
|
3.9
|
0.0
|
1.0
|
HB3
|
A:ASP198
|
3.9
|
0.0
|
1.0
|
CB
|
A:GLU201
|
3.9
|
0.0
|
1.0
|
CG
|
A:GLU201
|
4.0
|
-0.1
|
1.0
|
CA
|
A:GLY178
|
4.0
|
0.4
|
1.0
|
HA2
|
A:GLY178
|
4.0
|
0.0
|
1.0
|
CA
|
A:LEU181
|
4.0
|
0.4
|
1.0
|
CG1
|
A:ILE180
|
4.1
|
0.0
|
1.0
|
HD22
|
A:LEU181
|
4.1
|
0.0
|
1.0
|
OD2
|
A:ASP175
|
4.1
|
-0.9
|
1.0
|
N
|
A:LEU181
|
4.1
|
-0.7
|
1.0
|
N
|
A:ILE180
|
4.2
|
-0.7
|
1.0
|
C
|
A:GLY179
|
4.2
|
0.6
|
1.0
|
CD2
|
A:LEU181
|
4.2
|
0.0
|
1.0
|
CA
|
A:ILE180
|
4.3
|
0.4
|
1.0
|
HD13
|
A:ILE180
|
4.3
|
0.0
|
1.0
|
H
|
A:LYS177
|
4.3
|
0.4
|
1.0
|
O
|
A:GLY179
|
4.4
|
-0.6
|
1.0
|
HD12
|
A:ILE180
|
4.4
|
0.0
|
1.0
|
HA2
|
A:GLY176
|
4.4
|
0.0
|
1.0
|
O
|
A:ASP198
|
4.5
|
-0.6
|
1.0
|
N
|
A:GLY179
|
4.5
|
-0.7
|
1.0
|
CD1
|
A:ILE180
|
4.5
|
0.0
|
1.0
|
HG3
|
A:GLU201
|
4.6
|
0.0
|
1.0
|
H
|
A:ILE180
|
4.6
|
0.4
|
1.0
|
HG12
|
A:ILE180
|
4.6
|
0.0
|
1.0
|
HG2
|
A:GLU201
|
4.6
|
0.0
|
1.0
|
N
|
A:LYS177
|
4.7
|
-0.7
|
1.0
|
C
|
A:LEU181
|
4.7
|
0.6
|
1.0
|
H
|
A:ASP198
|
4.8
|
0.4
|
1.0
|
O
|
A:LEU181
|
4.8
|
-0.6
|
1.0
|
CA
|
A:ASP198
|
4.8
|
0.4
|
1.0
|
CA
|
A:GLY179
|
4.8
|
0.4
|
1.0
|
CB
|
A:ILE180
|
4.8
|
0.0
|
1.0
|
HZ2
|
A:TRP203
|
4.9
|
0.1
|
1.0
|
HD23
|
A:LEU181
|
4.9
|
0.0
|
1.0
|
HA3
|
A:GLY179
|
4.9
|
0.0
|
1.0
|
|
Calcium binding site 2 out
of 3 in 2z2d
Go back to
Calcium Binding Sites List in 2z2d
Calcium binding site 2 out
of 3 in the Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca267
b:2.0
occ:1.00
|
OD1
|
A:ASP194
|
2.0
|
-0.9
|
1.0
|
O
|
A:GLY192
|
2.3
|
-0.6
|
1.0
|
O
|
A:ASP158
|
2.4
|
-0.6
|
1.0
|
O
|
A:GLY190
|
2.4
|
-0.6
|
1.0
|
CG
|
A:ASP194
|
3.2
|
0.9
|
1.0
|
C
|
A:GLY192
|
3.3
|
0.6
|
1.0
|
HA3
|
A:GLY193
|
3.4
|
0.0
|
1.0
|
HB2
|
A:LEU160
|
3.4
|
0.0
|
1.0
|
HD21
|
A:LEU160
|
3.5
|
0.0
|
1.0
|
C
|
A:ASP158
|
3.6
|
0.6
|
1.0
|
C
|
A:GLY190
|
3.6
|
0.6
|
1.0
|
H
|
A:LEU160
|
3.7
|
0.4
|
1.0
|
O
|
A:ALA157
|
3.7
|
-0.6
|
1.0
|
OD2
|
A:ASP194
|
3.7
|
-0.9
|
1.0
|
H
|
A:ASP194
|
3.8
|
0.4
|
1.0
|
N
|
A:ASP194
|
3.8
|
-0.7
|
1.0
|
C
|
A:GLY193
|
3.9
|
0.6
|
1.0
|
C
|
A:ILE191
|
3.9
|
0.6
|
1.0
|
N
|
A:GLY193
|
4.0
|
-0.7
|
1.0
|
CA
|
A:GLY193
|
4.0
|
0.4
|
1.0
|
HA
|
A:ASP158
|
4.0
|
0.0
|
1.0
|
O
|
A:ILE191
|
4.0
|
-0.6
|
1.0
|
HD12
|
A:LEU160
|
4.0
|
0.0
|
1.0
|
N
|
A:GLY192
|
4.1
|
-0.7
|
1.0
|
HA
|
A:ILE159
|
4.1
|
0.0
|
1.0
|
N
|
A:GLY190
|
4.2
|
-0.7
|
1.0
|
N
|
A:LEU160
|
4.3
|
-0.7
|
1.0
|
CB
|
A:ASP194
|
4.4
|
-0.1
|
1.0
|
CA
|
A:ASP158
|
4.4
|
0.4
|
1.0
|
CA
|
A:GLY192
|
4.4
|
0.4
|
1.0
|
CA
|
A:GLY190
|
4.5
|
0.4
|
1.0
|
CB
|
A:LEU160
|
4.5
|
0.0
|
1.0
|
HA
|
A:ASP194
|
4.5
|
0.0
|
1.0
|
O
|
A:GLY193
|
4.5
|
-0.6
|
1.0
|
CD2
|
A:LEU160
|
4.5
|
0.0
|
1.0
|
CA
|
A:ASP194
|
4.5
|
0.4
|
1.0
|
HA
|
A:ILE191
|
4.5
|
0.0
|
1.0
|
N
|
A:ILE191
|
4.5
|
-0.7
|
1.0
|
HA2
|
A:GLY190
|
4.6
|
0.0
|
1.0
|
N
|
A:ILE159
|
4.6
|
-0.7
|
1.0
|
H
|
A:GLY190
|
4.6
|
0.4
|
1.0
|
CA
|
A:ILE191
|
4.6
|
0.4
|
1.0
|
H
|
A:GLY192
|
4.7
|
0.4
|
1.0
|
C
|
A:ALA157
|
4.7
|
0.6
|
1.0
|
C
|
A:SER189
|
4.7
|
0.6
|
1.0
|
CA
|
A:ILE159
|
4.7
|
0.4
|
1.0
|
HA
|
A:SER189
|
4.8
|
0.0
|
1.0
|
CD1
|
A:LEU160
|
4.8
|
0.0
|
1.0
|
CG
|
A:LEU160
|
4.9
|
0.0
|
1.0
|
C
|
A:ILE159
|
4.9
|
0.6
|
1.0
|
HD22
|
A:LEU160
|
4.9
|
0.0
|
1.0
|
H
|
A:GLY193
|
4.9
|
0.4
|
1.0
|
N
|
A:ASP158
|
4.9
|
-0.7
|
1.0
|
HA3
|
A:GLY192
|
5.0
|
0.0
|
1.0
|
|
Calcium binding site 3 out
of 3 in 2z2d
Go back to
Calcium Binding Sites List in 2z2d
Calcium binding site 3 out
of 3 in the Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca268
b:2.0
occ:1.00
|
OE2
|
A:GLU199
|
2.0
|
-0.9
|
1.0
|
OD2
|
A:ASP124
|
2.1
|
-0.9
|
1.0
|
O
|
A:GLU199
|
2.1
|
-0.6
|
1.0
|
O
|
A:GLU201
|
2.5
|
-0.6
|
1.0
|
HD1
|
A:TRP203
|
2.6
|
0.1
|
1.0
|
CG
|
A:ASP124
|
3.0
|
0.9
|
1.0
|
CD
|
A:GLU199
|
3.1
|
0.9
|
1.0
|
OD1
|
A:ASP124
|
3.2
|
-0.9
|
1.0
|
HG3
|
A:GLU199
|
3.2
|
0.0
|
1.0
|
C
|
A:GLU199
|
3.3
|
0.6
|
1.0
|
CD1
|
A:TRP203
|
3.6
|
-0.3
|
1.0
|
CG
|
A:GLU199
|
3.7
|
-0.1
|
1.0
|
H
|
A:TRP203
|
3.7
|
0.4
|
1.0
|
HA
|
A:PHE202
|
3.7
|
0.0
|
1.0
|
HA
|
A:GLU199
|
3.7
|
0.0
|
1.0
|
C
|
A:GLU201
|
3.8
|
0.6
|
1.0
|
CA
|
A:GLU199
|
4.0
|
0.4
|
1.0
|
O
|
A:ASP200
|
4.0
|
-0.6
|
1.0
|
HE1
|
A:TRP203
|
4.1
|
0.3
|
1.0
|
C
|
A:ASP200
|
4.2
|
0.6
|
1.0
|
OE1
|
A:GLU199
|
4.2
|
-0.9
|
1.0
|
NE1
|
A:TRP203
|
4.2
|
0.0
|
1.0
|
CB
|
A:ASP124
|
4.3
|
-0.1
|
1.0
|
N
|
A:ASP200
|
4.3
|
-0.7
|
1.0
|
CB
|
A:GLU199
|
4.4
|
0.0
|
1.0
|
HB2
|
A:ASP124
|
4.4
|
0.0
|
1.0
|
HA
|
A:ASP200
|
4.5
|
0.0
|
1.0
|
N
|
A:GLU201
|
4.5
|
-0.7
|
1.0
|
N
|
A:TRP203
|
4.5
|
-0.7
|
1.0
|
HG2
|
A:PRO123
|
4.6
|
0.0
|
1.0
|
H
|
A:MET125
|
4.6
|
0.4
|
1.0
|
CA
|
A:PHE202
|
4.6
|
0.4
|
1.0
|
HB3
|
A:ASP124
|
4.6
|
0.0
|
1.0
|
CA
|
A:ASP200
|
4.6
|
0.4
|
1.0
|
HG2
|
A:GLU199
|
4.6
|
0.0
|
1.0
|
N
|
A:PHE202
|
4.7
|
-0.7
|
1.0
|
HG2
|
A:GLU201
|
4.7
|
0.0
|
1.0
|
HB2
|
A:TRP203
|
4.7
|
0.0
|
1.0
|
CG
|
A:TRP203
|
4.7
|
-0.2
|
1.0
|
CA
|
A:GLU201
|
4.8
|
0.4
|
1.0
|
HB3
|
A:GLU199
|
4.8
|
0.0
|
1.0
|
H
|
A:ASP124
|
4.9
|
0.4
|
1.0
|
|
Reference:
X.Zheng,
L.Ou.
Solution Structure of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed with A Gamma-Keto Butanoic Acid Inhibitor To Be Published.
Page generated: Fri Jul 12 19:38:21 2024
|