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Cadmium in PDB 1gl1: Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria

Enzymatic activity of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria

All present enzymatic activity of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria:
3.4.21.1;

Protein crystallography data

The structure of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria, PDB code: 1gl1 was solved by A.Roussel, C.Kellenberger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.66 / 2.1
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 92.958, 92.958, 165.841, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 22.8

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria (pdb code 1gl1). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 6 binding sites of Cadmium where determined in the Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria, PDB code: 1gl1:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6;

Cadmium binding site 1 out of 6 in 1gl1

Go back to Cadmium Binding Sites List in 1gl1
Cadmium binding site 1 out of 6 in the Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1246

b:32.7
occ:1.00
 O A:HOH2103 2.3 33.2 1.0
OXT A:ASN245 2.3 32.5 1.0
O A:ASN245 2.4 33.6 1.0
C A:ASN245 2.6 34.5 1.0
CA A:ASN245 4.2 35.1 1.0
NZ A:LYS107 4.3 43.7 1.0
O A:LEU242 4.3 34.6 1.0
NE1 A:TRP51 4.5 29.5 1.0
CE A:LYS107 4.6 40.1 1.0
CZ2 A:TRP51 4.8 30.2 1.0
N A:ASN245 4.8 36.6 1.0
CB A:ASN245 4.8 37.9 1.0

Cadmium binding site 2 out of 6 in 1gl1

Go back to Cadmium Binding Sites List in 1gl1
Cadmium binding site 2 out of 6 in the Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1247

b:28.5
occ:1.00
 O A:HOH2070 1.8 15.6 1.0
OD1 A:ASP153 2.2 29.6 1.0
OD1 A:ASP72 2.4 23.7 1.0
OD2 A:ASP72 2.6 24.3 1.0
CG A:ASP72 2.8 21.1 1.0
CG A:ASP153 3.2 30.5 1.0
CB A:ASP153 3.7 26.2 1.0
CA A:GLY74 4.0 27.4 1.0
C A:GLY74 4.1 29.1 1.0
OD2 A:ASP153 4.2 30.6 1.0
N A:GLY74 4.3 24.5 1.0
CB A:ASP72 4.3 22.6 1.0
N A:SER75 4.4 28.1 1.0
O A:GLY74 4.6 29.6 1.0
NE A:ARG154 4.9 47.1 1.0

Cadmium binding site 3 out of 6 in 1gl1

Go back to Cadmium Binding Sites List in 1gl1
Cadmium binding site 3 out of 6 in the Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1246

b:36.7
occ:1.00
 O B:ASN245 2.4 29.4 1.0
OXT B:ASN245 2.5 27.5 1.0
O B:HOH2028 2.5 14.9 1.0
O B:HOH2121 2.6 21.3 1.0
C B:ASN245 2.8 29.8 1.0
CA B:ASN245 4.3 31.0 1.0
NZ B:LYS107 4.3 41.4 1.0
NE1 B:TRP51 4.4 21.9 1.0
O B:LEU242 4.5 25.9 1.0
CE B:LYS107 4.6 39.6 1.0
CZ2 B:TRP51 4.9 22.5 1.0

Cadmium binding site 4 out of 6 in 1gl1

Go back to Cadmium Binding Sites List in 1gl1
Cadmium binding site 4 out of 6 in the Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1247

b:30.0
occ:1.00
 OD1 B:ASP153 2.1 23.0 1.0
O B:HOH2040 2.3 28.9 1.0
OD1 B:ASP72 2.4 22.3 1.0
OD2 B:ASP72 2.6 20.8 1.0
CG B:ASP72 2.8 21.2 1.0
CG B:ASP153 3.2 26.5 1.0
CB B:ASP153 3.7 24.0 1.0
CA B:GLY74 4.1 26.6 1.0
C B:GLY74 4.2 27.8 1.0
OD2 B:ASP153 4.3 26.5 1.0
N B:GLY74 4.3 23.9 1.0
CB B:ASP72 4.3 20.5 1.0
N B:SER75 4.4 27.0 1.0
O B:GLY74 4.7 27.2 1.0
NE B:ARG154 4.9 46.0 1.0

Cadmium binding site 5 out of 6 in 1gl1

Go back to Cadmium Binding Sites List in 1gl1
Cadmium binding site 5 out of 6 in the Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cd1246

b:82.4
occ:1.00
 O C:HOH2129 2.3 30.5 1.0
O C:ASN245 2.4 42.2 1.0
OXT C:ASN245 2.7 41.7 1.0
C C:ASN245 2.9 41.8 1.0
O C:HOH2028 3.0 37.0 1.0
NZ C:LYS107 4.1 47.7 1.0
CE C:LYS107 4.2 44.1 1.0
CA C:ASN245 4.3 40.4 1.0

Cadmium binding site 6 out of 6 in 1gl1

Go back to Cadmium Binding Sites List in 1gl1
Cadmium binding site 6 out of 6 in the Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Structure of the Complex Between Bovine Alpha-Chymotrypsin and Pmp-C, An Inhibitor From the Insect Locusta Migratoria within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cd1247

b:18.8
occ:1.00
 O C:HOH2085 2.2 14.6 1.0
OD1 C:ASP153 2.3 21.9 1.0
OD1 C:ASP72 2.5 16.1 1.0
OD2 C:ASP72 2.5 17.3 1.0
CG C:ASP72 2.8 13.6 1.0
CG C:ASP153 3.2 24.7 1.0
CB C:ASP153 3.5 22.0 1.0
CA C:GLY74 4.2 20.2 1.0
CB C:ASP72 4.3 16.3 1.0
N C:GLY74 4.3 19.0 1.0
O C:HOH2086 4.4 28.9 1.0
OD2 C:ASP153 4.4 25.5 1.0
C C:GLY74 4.4 21.7 1.0
N C:SER75 4.5 20.0 1.0
NE C:ARG154 4.7 41.5 1.0
CA C:ASP153 5.0 20.4 1.0
O C:GLY74 5.0 20.8 1.0

Reference:

A.Roussel, M.Mathieu, A.Dobbs, B.Luu, C.Cambillau, C.Kellenberger. Complexation of Two Proteic Insect Inhibitors to the Active Site of Chymotrypsin Suggests Decoupled Roles For Binding and Selectivity J.Biol.Chem. V. 276 38893 2001.
ISSN: ISSN 0021-9258
PubMed: 11495915
DOI: 10.1074/JBC.M105707200
Page generated: Fri Jul 19 13:26:19 2024

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