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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:

Chlorine (Cl) 15 atoms
Zinc (Zn) 30 atoms

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: Sat Dec 12 04:00:58 2020

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