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Sodium in PDB 1h5v: Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form

Enzymatic activity of Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form

All present enzymatic activity of Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form:
3.2.1.4;

Protein crystallography data

The structure of Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form, PDB code: 1h5v was solved by A.Varrot, G.Sulzenbacher, M.Schulein, H.Driguez, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 75.169, 75.169, 135.471, 90.00, 90.00, 90.00
R / Rfree (%) 12 / 13.8

Other elements in 1h5v:

The structure of Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form also contains other interesting chemical elements:

Calcium (Ca) 10 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form (pdb code 1h5v). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form, PDB code: 1h5v:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 1h5v

Go back to Sodium Binding Sites List in 1h5v
Sodium binding site 1 out of 2 in the Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na315

b:26.1
occ:1.00
 O A:HOH2189 2.1 20.0 1.0
O A:HOH2195 2.2 23.9 0.5
O A:HOH2196 2.2 21.0 0.5
O A:ASP74 2.9 20.0 1.0
C A:ASP74 3.9 15.6 1.0
CA A:CA314 4.1 38.9 1.0
O A:HOH2194 4.1 29.4 1.0
O A:ILE73 4.2 16.5 1.0
O A:HOH2081 4.3 35.9 1.0
CA A:ASP74 4.4 15.6 1.0
CD A:PRO76 4.5 15.0 1.0
O A:HOH2190 4.6 18.4 1.0
N A:ASP75 4.9 13.3 1.0

Sodium binding site 2 out of 2 in 1h5v

Go back to Sodium Binding Sites List in 1h5v
Sodium binding site 2 out of 2 in the Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Thiopentasaccharide Complex of the Endoglucanase CEL5A From Bacillus Agaradharens at 1.1 A Resolution in the Tetragonal Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na316

b:30.4
occ:1.00
 O A:HOH2208 2.2 28.7 1.0
O A:HOH2041 2.2 30.5 1.0
O A:HOH2409 2.2 16.6 0.5
CA A:CA309 3.4 24.2 1.0
O A:HOH2410 4.3 30.0 1.0
O A:HOH2040 4.3 30.7 1.0
CA A:GLY221 4.4 14.0 1.0
O A:HOH2203 4.5 22.7 0.5
O A:HOH2416 4.6 22.4 1.0
O A:LEU218 4.7 14.8 1.0
O A:ASN16 4.8 13.2 1.0
N A:GLY221 4.8 13.7 1.0
O A:HOH2408 4.9 15.9 1.0
O A:ASP219 5.0 17.2 1.0

Reference:

A.Varrot, M.Schulein, S.Fruchard, H.Driguez, G.J.Davies. Atomic Resolution Structure of Endoglucanase CEL5A in Complex with Methyl 4,4II,4III,4IV-Tetrathio-Alpha-Cellopentoside Highlights the Alternative Binding Modes Targeted By Substrate Mimics Acta Crystallogr.,Sect.D V. 57 1739 2001.
ISSN: ISSN 0907-4449
PubMed: 11679762
DOI: 10.1107/S0907444901013993
Page generated: Tue Dec 15 05:25:12 2020

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