Chlorine in PDB 4j3u: Crystal Structure of Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin

All present enzymatic activity of Crystal Structure of Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin:
3.2.1.41;

The structure of Crystal Structure of Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin, PDB code: 4j3u was solved by L.Sim, M.S.Windahl, M.S.Moeller, A.Henriksen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.76 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	195.430, 84.610, 121.790, 90.00, 119.91, 90.00
R / Rfree (%)	17.2 / 21.8

The structure of Crystal Structure of Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin also contains other interesting chemical elements:

Iodine	(I)	35 atoms
Calcium	(Ca)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin (pdb code 4j3u). 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 Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin, PDB code: 4j3u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin


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 Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl932 b:29.0 occ:1.00 NH2 A:ARG262 3.5 15.7 1.0 NH1 A:ARG262 3.6 14.2 1.0 O A:ARG276 4.0 17.4 1.0 CZ A:ARG262 4.0 14.7 1.0 CZ3 A:TRP322 4.0 16.1 1.0 CZ A:PHE324 4.2 23.8 1.0 CE2 A:PHE324 4.2 23.9 1.0 CE3 A:TRP322 4.4 15.8 1.0 O A:HOH1608 4.6 43.3 1.0 C A:ARG276 4.8 17.6 1.0 O A:SER273 4.8 37.9 1.0 CB A:ARG276 4.8 22.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin


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 Barley Limit Dextrinase in Complex with Maltosyl- S-Betacyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl924 b:16.6 occ:1.00 O B:HOH1407 3.5 20.6 1.0 CB B:ASP661 3.9 17.3 1.0 CD B:ARG665 3.9 10.6 1.0 C B:ASP661 4.0 14.5 1.0 O B:HOH1449 4.0 32.5 1.0 N B:GLU662 4.0 13.5 1.0 O B:ASP661 4.0 13.5 1.0 CG B:GLU662 4.1 14.8 1.0 CA B:GLU662 4.2 12.4 1.0 CG B:ARG665 4.4 10.8 1.0 O B:HOH1420 4.4 22.3 1.0 O B:HOH1611 4.5 50.5 1.0 CA B:ASP661 4.6 15.8 1.0 CB B:GLU662 4.8 13.6 1.0 O B:HOH1159 4.8 19.7 1.0 O B:HOH1229 5.0 32.0 1.0

L.Sim, M.S.Windahl, M.S.Moeller, A.Henriksen. Crystal Structure of Barley Limit Dextrinase in Complex with Maltosyl-S-Betacyclodextrin To Be Published.