Chlorine in PDB 6nps: Crystal Structure of GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus

The structure of Crystal Structure of GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus, PDB code: 6nps was solved by P.J.Stogios, T.Skarina, R.Di Leo, R.Yan, E.Master, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.64 / 1.99
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	63.080, 96.210, 111.750, 84.37, 78.37, 83.32
R / Rfree (%)	14.8 / 19

The binding sites of Chlorine atom in the Crystal Structure of GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus (pdb code 6nps). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus, PDB code: 6nps:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus


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 GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:46.1 occ:1.00 N A:HIS903 3.2 35.5 1.0 N A:TRP904 3.4 32.6 1.0 CB A:HIS903 3.5 45.1 1.0 N A:HIS898 3.5 40.8 1.0 CA A:GLY901 3.6 44.1 1.0 C A:GLY901 3.6 41.4 1.0 N A:PRO902 3.6 43.6 1.0 O A:HIS898 3.6 38.6 1.0 CA A:HIS903 3.8 35.8 1.0 CA A:TYR897 3.8 44.1 1.0 CD A:PRO902 3.9 47.8 1.0 CD1 A:TYR897 4.0 41.8 1.0 C A:HIS903 4.1 34.6 1.0 C A:PRO902 4.2 38.5 1.0 C A:TYR897 4.2 43.8 1.0 CD2 A:HIS903 4.2 61.9 1.0 CB A:TRP904 4.2 33.9 1.0 CG A:HIS903 4.2 58.2 1.0 O A:GLY901 4.2 38.5 1.0 ND1 A:HIS898 4.3 53.2 1.0 O A:GLY896 4.3 57.2 1.0 N A:GLY901 4.3 42.7 1.0 CG A:PRO902 4.3 49.9 1.0 CA A:TRP904 4.4 30.5 1.0 CA A:PRO902 4.4 44.6 1.0 CG A:TYR897 4.5 44.8 1.0 C A:HIS898 4.5 42.1 1.0 CE1 A:HIS898 4.5 51.9 1.0 CE1 A:TYR897 4.6 39.0 1.0 CB A:TYR897 4.6 44.4 1.0 CA A:HIS898 4.6 42.1 1.0 N A:TYR897 4.7 52.7 1.0 C A:GLY896 4.8 57.7 1.0 CG A:HIS898 4.9 51.0 1.0 CB A:PRO902 5.0 48.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus


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 GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1001 b:81.0 occ:1.00 O B:HOH1438 3.0 53.9 1.0 NH2 B:ARG397 3.2 51.5 1.0 NE B:ARG397 3.4 46.7 1.0 CZ B:ARG397 3.8 51.9 1.0 CA B:GLY440 3.9 27.6 1.0 NH1 B:ARG442 4.0 46.2 1.0 CZ B:ARG442 4.1 43.0 1.0 CB B:ARG397 4.4 38.5 1.0 NE B:ARG442 4.4 34.7 1.0 NH2 B:ARG442 4.5 36.5 1.0 CD B:ARG397 4.7 41.9 1.0 CD B:ARG442 4.7 30.8 1.0 O B:GLY440 4.8 33.5 1.0 O B:ARG397 4.8 41.8 1.0 CG B:ARG397 4.8 38.6 1.0 N B:GLY440 4.8 29.6 1.0 C B:GLY440 4.8 30.2 1.0 O B:HOH1993 4.9 67.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus


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 GH115 Enzyme AXYAGU115A From Amphibacillus Xylanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:41.8 occ:1.00 N B:HIS903 3.3 35.5 1.0 N B:TRP904 3.3 30.0 1.0 N B:HIS898 3.5 36.6 1.0 CA B:GLY901 3.5 36.9 1.0 C B:GLY901 3.5 36.5 1.0 O B:HIS898 3.6 37.3 1.0 N B:PRO902 3.6 39.5 1.0 CB B:HIS903 3.6 41.5 1.0 CA B:TYR897 3.8 41.3 1.0 CA B:HIS903 3.8 34.6 1.0 CD B:PRO902 3.9 40.1 1.0 CD1 B:TYR897 4.0 36.9 1.0 C B:HIS903 4.1 31.9 1.0 C B:TYR897 4.1 41.2 1.0 CD2 B:HIS903 4.1 60.2 1.0 O B:GLY901 4.2 34.3 1.0 CB B:TRP904 4.2 30.9 1.0 C B:PRO902 4.2 38.4 1.0 CG B:HIS903 4.2 57.4 1.0 N B:GLY901 4.2 37.9 1.0 O B:GLY896 4.3 46.7 1.0 ND1 B:HIS898 4.3 50.2 1.0 CA B:TRP904 4.4 28.4 1.0 CG B:PRO902 4.4 41.7 1.0 CG B:TYR897 4.4 38.3 1.0 C B:HIS898 4.4 38.8 1.0 CA B:PRO902 4.5 39.1 1.0 CB B:TYR897 4.5 38.5 1.0 CA B:HIS898 4.6 40.9 1.0 CE1 B:HIS898 4.6 47.3 1.0 CE1 B:TYR897 4.6 37.7 1.0 N B:TYR897 4.7 46.9 1.0 CG B:HIS898 4.8 46.6 1.0 C B:GLY896 4.9 48.7 1.0

R.Yan, P.J.Stogios, T.Skarina, R.Di Leo, R.Yan, E.Master, A.Savchenko. N/A N/A.