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Cadmium in PDB 3cel: Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site

Enzymatic activity of Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site

All present enzymatic activity of Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site:
3.2.1.91;

Protein crystallography data

The structure of Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site, PDB code: 3cel was solved by C.Divne, J.Stahlberg, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.50 / 2.00
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 84.000, 84.100, 111.500, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 25.6

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site (pdb code 3cel). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 5 binding sites of Cadmium where determined in the Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site, PDB code: 3cel:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5;

Cadmium binding site 1 out of 5 in 3cel

Go back to Cadmium Binding Sites List in 3cel
Cadmium binding site 1 out of 5 in the Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd438

b:41.1
occ:1.00
 OE2 A:GLU190 2.5 19.2 1.0
OE1 A:GLU65 2.5 38.7 1.0
OE2 A:GLU65 2.6 38.7 1.0
CD A:GLU65 2.9 38.7 1.0
OE1 A:GLU190 3.0 19.2 1.0
CD A:GLU190 3.1 19.2 1.0
CB A:ASN64 4.3 15.7 1.0
CG A:GLU65 4.5 38.7 1.0
N A:ASN64 4.5 17.3 1.0
ND2 A:ASN64 4.5 15.7 1.0
CG A:GLU190 4.6 19.2 1.0
CB A:ASP63 4.6 26.9 1.0
OD2 A:ASP63 4.6 26.9 1.0
CG A:ASN64 4.7 15.7 1.0
N A:GLU65 4.8 15.2 1.0
CG A:ASP63 4.8 26.9 1.0
CA A:ASN64 4.9 17.3 1.0

Cadmium binding site 2 out of 5 in 3cel

Go back to Cadmium Binding Sites List in 3cel
Cadmium binding site 2 out of 5 in the Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd439

b:43.7
occ:1.00
 NE2 A:HIS206 2.4 23.8 1.0
OE1 A:GLU239 2.7 32.0 1.0
OE2 A:GLU239 2.7 32.0 1.0
CD A:GLU239 3.1 32.0 1.0
CE1 A:HIS206 3.2 23.8 1.0
CD2 A:HIS206 3.5 23.8 1.0
O A:HOH699 4.3 44.0 1.0
ND1 A:HIS206 4.4 23.8 1.0
CG A:GLU239 4.6 32.0 1.0
CG A:HIS206 4.6 23.8 1.0

Cadmium binding site 3 out of 5 in 3cel

Go back to Cadmium Binding Sites List in 3cel
Cadmium binding site 3 out of 5 in the Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd440

b:82.3
occ:1.00
 OD2 A:ASP52 2.9 52.8 1.0
OD1 A:ASP52 2.9 52.8 1.0
CG A:ASP52 3.3 52.8 1.0
CB A:ASP52 4.8 52.8 1.0

Cadmium binding site 4 out of 5 in 3cel

Go back to Cadmium Binding Sites List in 3cel
Cadmium binding site 4 out of 5 in the Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd441

b:0.4
occ:1.00
 OD2 A:ASP94 2.7 25.6 1.0
O A:HOH730 3.0 39.9 1.0
OD1 A:ASP94 3.3 25.6 1.0
CG A:ASP94 3.4 25.6 1.0
O A:HOH610 4.4 16.3 1.0
O A:HOH588 4.6 25.6 1.0
CB A:ASP94 4.8 25.6 1.0
O A:HOH722 4.9 32.8 1.0

Cadmium binding site 5 out of 5 in 3cel

Go back to Cadmium Binding Sites List in 3cel
Cadmium binding site 5 out of 5 in the Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Active-Site Mutant E212Q Determined at pH 6.0 with Cellobiose Bound in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1000

b:13.0
occ:0.50
 OE2 A:GLU295 2.5 10.1 1.0
OE2 A:GLU325 2.6 14.3 1.0
OE1 A:GLU295 2.7 10.1 1.0
CD A:GLU295 2.9 10.1 1.0
OE1 A:GLU325 3.3 14.3 1.0
CD A:GLU325 3.3 14.3 1.0
ND2 A:ASN301 4.3 11.8 1.0
CG A:GLU295 4.4 10.1 1.0
O A:HOH597 4.6 17.7 1.0
OG A:SER297 4.6 12.0 1.0
CB A:ALA299 4.7 5.6 1.0
CG A:GLU325 4.7 14.3 1.0
O A:HOH595 4.9 28.4 1.0

Reference:

J.Stahlberg, C.Divne, A.Koivula, K.Piens, M.Claeyssens, T.T.Teeri, T.A.Jones. Activity Studies and Crystal Structures of Catalytically Deficient Mutants of Cellobiohydrolase I From Trichoderma Reesei. J.Mol.Biol. V. 264 337 1996.
ISSN: ISSN 0022-2836
PubMed: 8951380
DOI: 10.1006/JMBI.1996.0644
Page generated: Fri Jul 19 15:45:29 2024

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