Chlorine in PDB 2xvl: Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh)

The structure of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh), PDB code: 2xvl was solved by J.Larsbrink, A.Izumi, F.Ibatullin, A.Nakhai, H.J.Gilbert, G.J.Davies, H.Brumer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.548 / 2.30
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	157.653, 157.653, 226.688, 90.00, 90.00, 120.00
R / Rfree (%)	14.5 / 18.53

The structure of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) also contains other interesting chemical elements:

Nickel

(Ni)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) (pdb code 2xvl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh), PDB code: 2xvl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1995 b:20.6 occ:0.33 NZ A:LYS461 2.9 62.6 1.0 CE A:LYS461 3.5 55.7 1.0 O A:HOH2296 4.9 46.6 1.0 CD A:LYS461 5.0 39.4 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1996 b:43.9 occ:1.00 NI A:NI1989 2.4 19.6 1.0 CL A:CL1999 2.8 45.0 1.0 CL A:CL1997 3.0 39.3 1.0 ND2 A:ASN503 3.1 13.8 1.0 CL A:CL2000 3.4 40.6 1.0 NE2 A:HIS882 4.0 10.2 1.0 NE A:ARG458 4.1 17.6 1.0 O A:HOH2331 4.1 27.4 1.0 CG A:ASN503 4.1 21.2 1.0 CD A:ARG458 4.1 18.7 1.0 CD2 A:HIS882 4.2 9.5 1.0 CL A:CL1998 4.4 41.2 1.0 CB A:ASN503 4.6 13.9 1.0 CZ A:ARG458 4.7 15.9 1.0 O A:HOH2292 4.8 30.3 1.0 O A:MET502 4.8 19.6 1.0 OD1 A:ASN503 5.0 25.6 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1997 b:39.3 occ:1.00 NI A:NI1989 2.5 19.6 1.0 CL A:CL1998 2.8 41.2 1.0 CL A:CL1996 3.0 43.9 1.0 CL A:CL1999 3.0 45.0 1.0 OE1 A:GLU885 3.0 14.8 1.0 CG A:GLN881 3.5 25.6 1.0 CD A:GLU885 3.7 14.7 1.0 OE2 A:GLU885 3.8 21.1 1.0 CB A:GLN881 3.9 14.5 1.0 NE2 A:HIS882 4.1 10.2 1.0 O A:HOH2625 4.1 27.2 1.0 CD2 A:HIS882 4.2 9.5 1.0 CL A:CL2000 4.5 40.6 1.0 CD A:GLN881 4.7 34.6 1.0 CG A:GLU885 4.8 16.0 1.0 N A:GLN881 4.8 15.4 1.0 O A:HOH2292 4.8 30.3 1.0 CA A:GLN881 5.0 18.2 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1998 b:41.2 occ:1.00 NI A:NI1989 2.5 19.6 1.0 CL A:CL1999 2.7 45.0 1.0 CL A:CL1997 2.8 39.3 1.0 CD A:GLU885 3.3 14.7 1.0 OE1 A:GLU885 3.4 14.8 1.0 CL A:CL2000 3.5 40.6 1.0 OE2 A:GLU885 3.6 21.1 1.0 CG A:GLU885 3.6 16.0 1.0 NE2 A:HIS882 4.1 10.2 1.0 CB A:GLU885 4.1 15.8 1.0 O A:HOH2624 4.2 43.2 1.0 CL A:CL1996 4.4 43.9 1.0 CE1 A:HIS882 4.8 11.8 1.0 CD2 A:HIS882 4.9 9.5 1.0 CA A:GLU885 5.0 19.5 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1999 b:45.0 occ:1.00 NI A:NI1989 2.6 19.6 1.0 CL A:CL2000 2.7 40.6 1.0 CL A:CL1998 2.7 41.2 1.0 CL A:CL1996 2.8 43.9 1.0 CL A:CL1997 3.0 39.3 1.0 ND2 A:ASN503 4.5 13.8 1.0 O A:HOH2331 4.6 27.4 1.0 NE2 A:HIS882 4.8 10.2 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2000 b:40.6 occ:1.00 NI A:NI1989 2.4 19.6 1.0 CL A:CL1999 2.7 45.0 1.0 ND2 A:ASN503 3.1 13.8 1.0 CG A:ASN503 3.1 21.2 1.0 OD1 A:ASN503 3.2 25.6 1.0 CL A:CL1996 3.4 43.9 1.0 CL A:CL1998 3.5 41.2 1.0 NE2 A:HIS882 3.6 10.2 1.0 CB A:ASN503 4.0 13.9 1.0 CE1 A:HIS882 4.1 11.8 1.0 O A:HOH2331 4.4 27.4 1.0 CL A:CL1997 4.5 39.3 1.0 CD2 A:HIS882 4.8 9.5 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Alpha-Xylosidase (GH31) From Cellvibrio Japonicus in Complex with Pentaerythritol Propoxylate (5 4 Po Oh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2002 b:63.0 occ:1.00 NI A:NI1990 2.6 34.8 1.0 O A:HOH2048 2.7 26.8 1.0 O A:HOH2121 2.8 31.9 1.0 O A:HOH2119 2.9 30.2 1.0 O A:HOH2325 2.9 26.5 1.0 O A:HOH2326 4.8 25.3 1.0 ND1 A:HIS500 4.9 18.0 1.0

J.Larsbrink, A.Izumi, F.Ibatullin, A.Nakhai, H.J.Gilbert, G.J.Davies, H.Brumer. Structural and Enzymatic Characterisation of A Glycoside Hydrolase Family 31 Alpha-Xylosidase From Cellvibrio Japonicus Involved in Xyloglucan Saccharification. Biochem.J. V. 436 567 2011.
ISSN: ISSN 0264-6021
PubMed: 21426303
DOI: 10.1042/BJ20110299