Chlorine in PDB 2x8t: Crystal Structure of the ABN2 H318A Mutant

All present enzymatic activity of Crystal Structure of the ABN2 H318A Mutant:
3.2.1.99;

The structure of Crystal Structure of the ABN2 H318A Mutant, PDB code: 2x8t was solved by D.Desanctis, J.M.Inacio, P.F.Lindley, I.De Sa-Nogueira, I.Bento, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.79 / 1.79
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.800, 57.370, 85.480, 82.10, 88.21, 63.61
R / Rfree (%)	15.8 / 18.9

The structure of Crystal Structure of the ABN2 H318A Mutant also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the ABN2 H318A Mutant (pdb code 2x8t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the ABN2 H318A Mutant, PDB code: 2x8t:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the ABN2 H318A Mutant


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 the ABN2 H318A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1471 b:17.5 occ:1.00 O A:HOH2219 3.0 27.9 1.0 O A:HOH2147 3.1 16.6 1.0 O A:HOH2176 3.2 11.0 1.0 NE A:ARG348 3.3 11.8 1.0 NH2 A:ARG348 3.4 12.6 1.0 CD A:ARG366 3.7 14.5 1.0 CE2 A:TYR313 3.7 10.0 1.0 OH A:TYR313 3.8 11.8 1.0 CZ A:ARG348 3.8 9.9 1.0 OG A:SER446 4.0 17.0 1.0 CG2 A:THR311 4.1 13.1 1.0 CZ A:TYR313 4.2 10.1 1.0 NH1 A:ARG366 4.2 11.7 1.0 O A:HOH2218 4.3 13.7 1.0 CD A:ARG348 4.4 10.5 1.0 NE A:ARG366 4.4 14.9 1.0 CB A:THR311 4.4 13.9 1.0 CG A:ARG366 4.6 15.2 1.0 CZ A:ARG366 4.6 15.6 1.0 CB A:ARG366 4.9 13.2 1.0 CD2 A:TYR313 4.9 9.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the ABN2 H318A Mutant


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 the ABN2 H318A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1473 b:15.8 occ:1.00 O B:HOH2172 3.0 15.7 1.0 O B:HOH2201 3.2 8.2 1.0 O B:HOH2247 3.2 14.9 1.0 NE B:ARG348 3.3 10.8 1.0 NH2 B:ARG348 3.4 11.2 1.0 CE2 B:TYR313 3.7 11.9 1.0 CZ B:ARG348 3.8 9.4 1.0 OH B:TYR313 3.8 8.9 1.0 CD B:ARG366 3.8 15.2 1.0 CG2 B:THR311 4.0 8.4 1.0 OG B:SER446 4.1 12.6 1.0 CZ B:TYR313 4.2 9.0 1.0 NH1 B:ARG366 4.3 11.4 1.0 O B:HOH2248 4.3 10.7 1.0 CB B:THR311 4.4 11.3 1.0 CD B:ARG348 4.4 9.5 1.0 NA B:NA476 4.5 52.0 1.0 NE B:ARG366 4.6 10.6 1.0 CG B:ARG366 4.7 11.8 1.0 CZ B:ARG366 4.8 11.3 1.0 CD2 B:TYR313 4.8 10.3 1.0 CB B:ARG366 4.9 11.0 1.0 O B:HOH2200 5.0 7.7 1.0

D.De Sanctis, J.M.Inacio, P.F.Lindley, I.De Sa-Nogueira, I.Bento. New Evidence For the Role of Calcium in the Glycosidase Reaction of GH43 Arabinanases. Febs J. V. 277 4562 2010.
ISSN: ISSN 1742-464X
PubMed: 20883454
DOI: 10.1111/J.1742-4658.2010.07870.X