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Sodium in PDB 1gz1: Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside

Enzymatic activity of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside

All present enzymatic activity of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside:
3.2.1.91;

Protein crystallography data

The structure of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside, PDB code: 1gz1 was solved by A.Varrot, T.Frandsen, H.Driguez, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.9
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.257, 68.380, 55.180, 90.00, 112.39, 90.00
R / Rfree (%) 16.6 / 21.1

Sodium Binding Sites:

The binding sites of Sodium atom in the Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside (pdb code 1gz1). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside, PDB code: 1gz1:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 1gz1

Go back to Sodium Binding Sites List in 1gz1
Sodium binding site 1 out of 2 in the Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na505

b:40.7
occ:1.00
 OE1 A:GLU157 2.2 36.8 1.0
O A:HOH2051 2.7 25.1 1.0
CD A:GLU157 3.1 31.4 1.0
OE2 A:GLU157 3.3 32.1 1.0
O A:HOH2052 4.1 18.5 1.0
O A:HOH2042 4.2 34.5 1.0
CG A:GLU154 4.3 20.3 1.0
CG A:GLU157 4.5 25.6 1.0
CB A:GLU157 5.0 21.4 1.0

Sodium binding site 2 out of 2 in 1gz1

Go back to Sodium Binding Sites List in 1gz1
Sodium binding site 2 out of 2 in the Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with Methyl-Cellobiosyl-4-Deoxy-4-Thio-Beta-D-Cellobioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na506

b:41.7
occ:1.00
 OE1 A:GLU286 2.2 40.3 1.0
O A:HOH2154 3.0 35.5 1.0
CD A:GLU286 3.4 33.1 1.0
CB A:PRO283 3.8 22.8 1.0
CA A:PRO283 3.9 22.4 1.0
OE2 A:GLU286 4.1 37.5 1.0
CG A:GLU286 4.3 29.1 1.0
CB A:GLU286 4.5 22.6 1.0
CG A:PRO283 4.6 23.8 1.0
O A:PRO283 4.6 20.4 1.0
C A:PRO283 4.8 20.5 1.0
O A:HOH2124 4.9 36.0 1.0
N A:PRO283 4.9 22.9 1.0

Reference:

A.Varrot, T.Frandsen, H.Driguez, G.J.Davies. Structure of the Humicola Insolens Cellobiohydrolase CEL6A D416A Mutant in Complex with A Non-Hydrolysable Substrate Analogue, Methyl Cellobiosyl-4-Thio-Beta-Cellobioside, at 1.9 A Acta Crystallogr.,Sect.D V. 58 2201 2002.
ISSN: ISSN 0907-4449
PubMed: 12454501
DOI: 10.1107/S0907444902017006
Page generated: Sun Oct 6 18:39:17 2024

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