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Cadmium in PDB 1ell: Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form.

Enzymatic activity of Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form.

All present enzymatic activity of Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form.:
3.4.17.1;

Protein crystallography data

The structure of Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form., PDB code: 1ell was solved by F.Jensen, T.Bukrinsky, J.Bjerrum, S.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.76
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.294, 60.173, 51.752, 90.00, 97.44, 90.00
R / Rfree (%) 16.7 / 17.8

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form. (pdb code 1ell). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 5 binding sites of Cadmium where determined in the Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form., PDB code: 1ell:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5;

Cadmium binding site 1 out of 5 in 1ell

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Cadmium binding site 1 out of 5 in the Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cd350

b:10.2
occ:1.00
 ND1 P:HIS69 2.2 6.8 1.0
ND1 P:HIS196 2.3 8.6 1.0
OE2 P:GLU72 2.4 10.3 1.0
O P:HOH550 2.5 21.7 1.0
O P:HOH401 2.6 12.7 1.0
OE1 P:GLU72 2.6 9.1 1.0
CD P:GLU72 2.8 9.5 1.0
CE1 P:HIS69 3.2 8.2 1.0
CG P:HIS69 3.3 7.4 1.0
CE1 P:HIS196 3.3 8.2 1.0
CG P:HIS196 3.3 7.8 1.0
CB P:HIS196 3.5 8.2 1.0
CB P:HIS69 3.6 7.7 1.0
O P:HOH402 4.0 18.4 1.0
O P:SER197 4.1 9.8 1.0
OE2 P:GLU270 4.3 12.8 1.0
CG P:GLU72 4.3 9.4 1.0
NE2 P:HIS69 4.4 7.6 1.0
NH2 P:ARG127 4.4 19.2 1.0
O P:HOH403 4.4 9.9 1.0
CD2 P:HIS69 4.4 7.1 1.0
NE2 P:HIS196 4.5 9.1 1.0
CD2 P:HIS196 4.5 8.1 1.0
CA P:HIS196 4.5 8.6 1.0
N P:SER197 4.6 8.7 1.0
O P:HOH675 4.7 31.6 1.0
OE1 P:GLU270 4.8 12.1 1.0
O P:HOH606 4.8 29.1 1.0
O P:HOH595 4.9 29.7 1.0
CD P:GLU270 5.0 12.3 1.0
CA P:HIS69 5.0 7.8 1.0

Cadmium binding site 2 out of 5 in 1ell

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Cadmium binding site 2 out of 5 in the Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cd351

b:22.7
occ:0.15
 CD P:CD351 0.0 22.7 0.1
CE1 P:HIS303 1.2 15.5 0.5
ND1 P:HIS303 1.5 16.8 0.5
NE2 P:HIS303 2.3 16.2 0.5
ND1 P:HIS303 2.4 17.6 0.5
O P:HOH495 2.5 27.4 1.0
CG P:HIS303 2.6 16.6 0.5
CD2 P:HIS303 2.9 16.3 0.5
CD P:CD351 3.1 25.6 0.1
CE1 P:HIS303 3.2 17.5 0.5
CG P:HIS303 3.4 17.3 0.5
CB P:HIS303 3.8 17.7 0.5
CB P:HIS303 3.8 17.6 0.5
CA P:HIS303 4.3 18.5 1.0
NE2 P:HIS303 4.4 17.3 0.5
CD2 P:HIS303 4.5 17.3 0.5

Cadmium binding site 3 out of 5 in 1ell

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Cadmium binding site 3 out of 5 in the Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cd351

b:25.6
occ:0.15
 CD P:CD351 0.0 25.6 0.1
CE1 P:HIS303 0.9 17.5 0.5
ND1 P:HIS303 1.6 17.6 0.5
NE2 P:HIS303 2.0 17.3 0.5
CG P:HIS303 2.6 17.3 0.5
ND1 P:HIS303 2.7 16.8 0.5
CD2 P:HIS303 2.9 17.3 0.5
CD P:CD351 3.1 22.7 0.1
OE2 P:GLU218 3.6 19.1 1.0
CE1 P:HIS303 3.6 15.5 0.5
CG P:HIS303 3.8 16.6 0.5
CB P:HIS303 4.0 17.7 0.5
CB P:HIS303 4.0 17.6 0.5
O P:HIS303 4.3 20.5 1.0
CA P:HIS303 4.5 18.5 1.0
CD P:GLU218 4.5 17.9 1.0
OH P:TYR265 4.7 17.5 1.0
CG P:GLU218 4.7 16.3 1.0
CG2 P:VAL222 4.7 11.3 1.0
C P:HIS303 4.8 19.3 1.0
NE2 P:HIS303 4.9 16.2 0.5
CD2 P:HIS303 4.9 16.3 0.5

Cadmium binding site 4 out of 5 in 1ell

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Cadmium binding site 4 out of 5 in the Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cd353

b:16.4
occ:0.15
 NE2 P:HIS29 2.3 18.9 1.0
O P:HOH590 2.3 20.7 1.0
CE1 P:HIS29 2.4 19.3 1.0
O P:HOH540 2.4 28.8 1.0
CD2 P:HIS29 3.6 18.4 1.0
ND1 P:HIS29 3.7 18.6 1.0
NZ P:LYS84 4.0 13.7 1.0
CG P:HIS29 4.3 18.0 1.0
OG1 P:THR87 4.4 15.8 1.0
OE1 P:GLU28 4.7 18.0 1.0
CB P:THR87 4.8 14.9 1.0
O P:THR87 4.9 16.3 1.0

Cadmium binding site 5 out of 5 in 1ell

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Cadmium binding site 5 out of 5 in the Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Cadmium-Substituted Bovine Pancreatic Carboxypeptidase A (Alfa-Form) at pH 7.5 and 0.25 M Chloride in Monoclinic Crystal Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cd354

b:19.7
occ:0.10
 O P:HOH680 1.8 34.2 1.0
OE1 P:GLU17 2.5 16.3 1.0
OE2 P:GLU17 2.7 18.7 1.0
CD P:GLU17 2.9 16.7 1.0
ND1 P:HIS13 2.9 14.0 1.0
CE1 P:HIS13 3.3 13.9 1.0
CG P:HIS13 4.0 13.3 1.0
O P:TYR12 4.3 13.0 1.0
CG P:GLU17 4.3 15.5 1.0
CA P:HIS13 4.5 11.8 1.0
NE2 P:HIS13 4.5 12.9 1.0
CB P:HIS13 4.6 12.5 1.0
O P:HOH416 4.7 18.6 1.0
O P:HOH527 4.7 30.5 1.0
CD2 P:HIS13 4.9 13.4 1.0
CB P:GLU17 4.9 13.5 1.0
CG2 P:THR11 5.0 14.5 1.0

Reference:

F.Jensen, T.Bukrinsky, J.Bjerrum, S.Larsen. Three High-Resolution Crystal Structures of Cadmium-Substituted Carboxypeptidase A Provide Insight Into the Enzymatic Function J.Biol.Inorg.Chem. V. 7 490 2002.
ISSN: ISSN 0949-8257
PubMed: 11941507
DOI: 10.1007/S00775-001-0324-0
Page generated: Fri Jul 19 13:14:45 2024

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