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Calcium in PDB 4avn: Thermobifida Fusca Cellobiohydrolase CEL6B Catalytic Mutant D226A-S232A Cocrystallized with Cellobiose

Enzymatic activity of Thermobifida Fusca Cellobiohydrolase CEL6B Catalytic Mutant D226A-S232A Cocrystallized with Cellobiose

All present enzymatic activity of Thermobifida Fusca Cellobiohydrolase CEL6B Catalytic Mutant D226A-S232A Cocrystallized with Cellobiose:
3.2.1.91;

Protein crystallography data

The structure of Thermobifida Fusca Cellobiohydrolase CEL6B Catalytic Mutant D226A-S232A Cocrystallized with Cellobiose, PDB code: 4avn was solved by M.Wu, T.V.Vuong, D.B.Wilson, M.Sandgren, J.Stahlberg, H.Hansson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.20 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.520, 92.080, 49.780, 90.00, 111.85, 90.00
R / Rfree (%) 15.419 / 19.802

Calcium Binding Sites:

The binding sites of Calcium atom in the Thermobifida Fusca Cellobiohydrolase CEL6B Catalytic Mutant D226A-S232A Cocrystallized with Cellobiose (pdb code 4avn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Thermobifida Fusca Cellobiohydrolase CEL6B Catalytic Mutant D226A-S232A Cocrystallized with Cellobiose, PDB code: 4avn:

Calcium binding site 1 out of 1 in 4avn

Go back to Calcium Binding Sites List in 4avn
Calcium binding site 1 out of 1 in the Thermobifida Fusca Cellobiohydrolase CEL6B Catalytic Mutant D226A-S232A Cocrystallized with Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thermobifida Fusca Cellobiohydrolase CEL6B Catalytic Mutant D226A-S232A Cocrystallized with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca607

b:10.5
occ:1.00
 O A:ASP419 2.2 8.5 1.0
O A:HOH2007 2.3 12.5 1.0
OD1 A:ASP142 2.4 16.0 1.0
O A:HOH2006 2.4 21.5 1.0
O A:HOH2008 2.4 3.3 1.0
O A:ASP142 2.4 11.2 1.0
O A:HOH2179 2.6 23.4 1.0
C A:ASP142 3.4 11.4 1.0
C A:ASP419 3.4 9.1 1.0
CG A:ASP142 3.5 15.0 1.0
CA A:ASP142 3.9 12.3 1.0
NE2 A:HIS358 4.0 11.9 1.0
CD2 A:HIS358 4.1 11.3 1.0
CB A:ASP419 4.2 10.0 1.0
C A:ILE420 4.3 7.9 1.0
CB A:ASP142 4.3 12.6 1.0
N A:GLY421 4.3 7.4 1.0
N A:ILE420 4.4 8.4 1.0
CA A:ILE420 4.4 8.1 1.0
OD2 A:ASP142 4.4 18.8 1.0
CA A:ASP419 4.4 9.6 1.0
O A:HIS358 4.4 9.1 1.0
OD2 A:ASP485 4.5 7.6 1.0
CG A:ASP419 4.5 11.7 1.0
N A:ASN143 4.5 10.3 1.0
OD1 A:ASP485 4.5 10.6 1.0
O A:ILE420 4.6 7.2 1.0
OD1 A:ASP419 4.8 13.0 1.0
CE1 A:HIS358 4.9 11.8 1.0
CA A:ASN143 5.0 9.7 1.0
CG A:ASP485 5.0 8.3 1.0
CA A:GLY421 5.0 7.8 1.0

Reference:

M.Wu, L.Bu, T.V.Vuong, D.B.Wilson, M.F.Crowley, M.Sandgren, J.Stahlberg, G.T.Beckham, H.Hansson. Loop Motions Important to Product Expulsion in the Thermobifida Fusca Glycoside Hydrolase Family 6 Cellobiohydrolase From Structural and Computational Studies. J.Biol.Chem. V. 288 33107 2013.
ISSN: ISSN 0021-9258
PubMed: 24085303
DOI: 10.1074/JBC.M113.502765
Page generated: Tue Jul 8 18:43:43 2025

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