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Chlorine in PDB 1ur2: Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose

Enzymatic activity of Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose

All present enzymatic activity of Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose:
3.2.1.8;

Protein crystallography data

The structure of Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose, PDB code: 1ur2 was solved by G.Pell, E.J.Taylor, T.M.Gloster, J.P.Turkenburg, C.M.G.A.Fontes, L.M.A.Ferreira, G.J.Davies, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.28 / 1.6
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.924, 67.659, 104.782, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 18.9

Other elements in 1ur2:

The structure of Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose (pdb code 1ur2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose, PDB code: 1ur2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1ur2

Go back to Chlorine Binding Sites List in 1ur2
Chlorine binding site 1 out of 2 in the Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1383

b:13.8
occ:1.00
 O A:HOH2081 3.1 15.8 1.0
O A:HOH2109 3.2 9.1 1.0
N A:ALA43 3.2 11.4 1.0
ND2 A:ASN68 3.4 8.2 1.0
CB A:ASN42 3.5 10.9 1.0
CA A:ASN42 3.7 10.3 1.0
CB A:ASN68 3.7 8.6 1.0
C A:ASN42 3.9 10.8 1.0
CB A:ALA43 4.0 12.4 1.0
O A:HOH2590 4.0 33.5 1.0
CG A:ASN68 4.0 8.8 1.0
O A:HOH2038 4.2 25.3 1.0
CA A:ALA43 4.2 12.2 1.0
O A:HOH2002 4.2 24.6 1.0
N A:ASN68 4.3 8.3 1.0
O A:HOH2029 4.5 52.5 1.0
CA A:ASN68 4.6 8.3 1.0
CB A:GLU67 4.7 7.6 1.0
CG A:ASN42 4.8 11.5 1.0
N A:CYS69 4.9 8.1 1.0
O3' A:AHR1382 5.0 20.6 1.0

Chlorine binding site 2 out of 2 in 1ur2

Go back to Chlorine Binding Sites List in 1ur2
Chlorine binding site 2 out of 2 in the Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Xylanase XYN10B Mutant (E262S) From Cellvibrio Mixtus in Complex with Arabinofuranose Alpha 1,3 Linked to Xylotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1384

b:18.8
occ:1.00
 O A:HOH2262 2.9 24.3 1.0
O A:HOH2487 3.0 13.1 1.0
O A:HOH2479 3.1 21.4 1.0
CG A:PRO297 3.6 12.2 1.0
CD A:PRO297 3.7 11.5 1.0
CB A:PRO297 3.9 11.2 1.0
CD1 A:TYR292 4.0 14.9 1.0
CE1 A:TYR292 4.2 13.8 1.0
O A:GLY295 4.6 10.9 1.0
N A:PRO297 4.7 11.1 1.0
O A:PRO291 4.7 12.8 1.0
CA A:PRO297 4.9 11.5 1.0

Reference:

G.Pell, E.J.Taylor, T.M.Gloster, J.P.Turkenburg, C.M.G.A.Fontes, L.M.A.Ferreira, T.Nagy, S.Clark, G.J.Davies, H.J.Gilbert. The Mechanisms By Which Family 10 Glycoside Hydrolases Bind Decorated Substrates J.Biol.Chem. V. 279 9597 2004.
ISSN: ISSN 0021-9258
PubMed: 14668328
DOI: 10.1074/JBC.M312278200
Page generated: Sat Jul 20 02:47:19 2024

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