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Cadmium in PDB 1d7b: Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5

Enzymatic activity of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5

All present enzymatic activity of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5:
1.1.3.25;

Protein crystallography data

The structure of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5, PDB code: 1d7b was solved by B.M.Hallberg, T.Bergfors, K.Backbro, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.90
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 139.200, 139.200, 53.960, 90.00, 90.00, 120.00
R / Rfree (%) 19.2 / 22.6

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5 (pdb code 1d7b). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 6 binding sites of Cadmium where determined in the Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5, PDB code: 1d7b:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6;

Cadmium binding site 1 out of 6 in 1d7b

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Cadmium binding site 1 out of 6 in the Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd502

b:17.0
occ:1.00
O A:HOH1630 1.8 20.7 1.0
O1A B:HEM401 2.2 18.8 1.0
O B:HOH1629 2.2 19.0 1.0
OD1 A:ASP24 2.3 14.3 1.0
O A:PRO21 2.4 16.1 1.0
OD2 A:ASP24 2.4 15.4 1.0
O2A B:HEM401 2.5 17.3 1.0
CGA B:HEM401 2.6 13.0 1.0
CG A:ASP24 2.7 13.1 1.0
C A:PRO21 3.4 14.7 1.0
CA A:PRO21 3.7 14.0 1.0
CBA B:HEM401 4.1 13.0 1.0
CB A:ASP24 4.2 16.5 1.0
CB A:PRO21 4.2 17.4 1.0
O A:HOH1663 4.3 26.5 1.0
O A:HOH1725 4.3 29.6 1.0
O A:HOH1638 4.4 21.1 1.0
O B:HOH2634 4.5 20.4 1.0
N A:VAL22 4.5 13.7 1.0
O A:HOH1674 4.7 26.2 1.0
CA A:ASP24 4.8 15.7 1.0
O A:VAL22 4.8 19.5 1.0
N A:ASP24 4.9 13.6 1.0
C A:VAL22 4.9 19.7 1.0
CA A:VAL22 4.9 14.3 1.0

Cadmium binding site 2 out of 6 in 1d7b

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Cadmium binding site 2 out of 6 in the Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd503

b:39.0
occ:1.00
OE2 A:GLU107 2.3 19.5 1.0
O A:HOH1768 2.3 27.4 1.0
O A:HOH1766 2.3 34.2 1.0
O A:HOH1767 2.5 42.3 1.0
O A:ASN186 2.5 67.5 1.0
O A:HOH1714 2.6 18.3 1.0
CD A:GLU107 3.3 22.5 1.0
OE1 A:GLU107 3.6 19.0 1.0
O A:TYR184 3.7 26.1 1.0
C A:ASN186 3.7 57.5 1.0
O A:HOH1731 4.3 34.5 1.0
OXT A:ASN186 4.3 84.9 1.0
CG A:GLU107 4.6 16.9 1.0
C A:TYR184 4.6 24.4 1.0
O A:ASN183 4.7 21.8 1.0
CZ A:PHE13 4.7 19.3 1.0
CG A:PRO106 4.7 26.9 1.0
CA A:ASN186 4.9 42.6 1.0
O A:LEU185 5.0 35.4 1.0
N A:ASN186 5.0 27.8 1.0
C A:LEU185 5.0 27.2 1.0

Cadmium binding site 3 out of 6 in 1d7b

Go back to Cadmium Binding Sites List in 1d7b
Cadmium binding site 3 out of 6 in the Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd504

b:85.2
occ:1.00
OE2 A:GLU126 2.6 42.7 1.0
OE1 A:GLU126 2.7 30.6 1.0
CD A:GLU126 3.0 29.6 1.0
CG A:GLU126 4.5 20.8 1.0
O A:HOH1702 4.9 32.4 1.0

Cadmium binding site 4 out of 6 in 1d7b

Go back to Cadmium Binding Sites List in 1d7b
Cadmium binding site 4 out of 6 in the Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd502

b:18.9
occ:1.00
O B:HOH2630 1.9 16.4 1.0
O1A A:HEM401 2.2 17.9 1.0
O B:HOH2629 2.3 26.2 1.0
OD1 B:ASP24 2.3 13.9 1.0
OD2 B:ASP24 2.4 16.7 1.0
O B:PRO21 2.4 13.5 1.0
O2A A:HEM401 2.5 18.1 1.0
CGA A:HEM401 2.6 9.8 1.0
CG B:ASP24 2.7 13.9 1.0
C B:PRO21 3.4 19.1 1.0
CA B:PRO21 3.7 11.6 1.0
CBA A:HEM401 4.1 16.2 1.0
CB B:ASP24 4.2 15.3 1.0
CB B:PRO21 4.2 17.0 1.0
O B:HOH2663 4.4 25.8 1.0
O B:HOH2748 4.5 31.8 1.0
O B:HOH2674 4.5 36.9 1.0
N B:VAL22 4.6 13.7 1.0
O A:HOH1634 4.6 20.7 1.0
CA B:ASP24 4.7 18.2 1.0
N B:ASP24 4.8 12.0 1.0
O B:HOH2638 4.8 23.3 1.0
O B:VAL22 4.9 19.4 1.0
C B:VAL22 5.0 20.9 1.0
CA B:VAL22 5.0 14.2 1.0
CZ A:PHE166 5.0 12.5 1.0

Cadmium binding site 5 out of 6 in 1d7b

Go back to Cadmium Binding Sites List in 1d7b
Cadmium binding site 5 out of 6 in the Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd503

b:86.4
occ:1.00
OD2 B:ASP152 2.6 43.0 1.0
CG B:ASP152 3.4 32.5 1.0
OD1 B:ASP152 3.7 33.7 1.0
O B:HOH2693 4.2 35.3 1.0
OG B:SER154 4.6 37.5 1.0
CB B:ASP155 4.7 22.0 1.0
CB B:ASP152 4.8 25.8 1.0
OD2 B:ASP155 5.0 28.8 1.0

Cadmium binding site 6 out of 6 in 1d7b

Go back to Cadmium Binding Sites List in 1d7b
Cadmium binding site 6 out of 6 in the Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Cytochrome Domain of Cellobiose Dehydrogenase, pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd501

b:18.5
occ:1.00
O A:HOH1628 2.3 14.4 1.0
OD2 B:ASP165 2.3 14.6 1.0
O B:HOH2628 2.4 13.8 1.0
OD2 A:ASP165 2.4 13.0 1.0
OD1 A:ASP165 2.4 10.7 1.0
OD1 B:ASP165 2.4 11.6 1.0
CG B:ASP165 2.7 11.4 1.0
CG A:ASP165 2.8 12.8 1.0
CB B:ASP165 4.3 11.7 1.0
O B:PHE166 4.3 13.9 1.0
CB A:ASP165 4.3 11.3 1.0
O A:PHE166 4.4 12.7 1.0
CG2 B:VAL22 4.5 17.5 1.0
O A:HOH1612 4.5 16.6 1.0
O A:HOH2678 4.5 45.6 1.0
O B:HOH1678 4.5 38.7 1.0
O B:HOH2612 4.5 13.4 1.0
CG2 A:VAL22 4.6 14.5 1.0
CH2 B:TRP143 4.6 14.8 1.0
CH2 A:TRP143 4.6 12.6 1.0
O B:HOH1643 4.8 22.9 1.0
O A:HOH2643 4.9 22.0 1.0
NE2 B:HIS23 5.0 17.6 1.0
CB B:VAL22 5.0 17.2 1.0

Reference:

B.M.Hallberg, T.Bergfors, K.Backbro, G.Pettersson, G.Henriksson, C.Divne. A New Scaffold For Binding Haem in the Cytochrome Domain of the Extracellular Flavocytochrome Cellobiose Dehydrogenase. Structure Fold.Des. V. 8 79 2000.
ISSN: ISSN 0969-2126
PubMed: 10673428
DOI: 10.1016/S0969-2126(00)00082-4
Page generated: Fri Aug 28 11:42:35 2020
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