Chlorine in PDB 6hnb: Crystal Structure of Aminotransferase ARO8 From Candida Albicans

The structure of Crystal Structure of Aminotransferase ARO8 From Candida Albicans, PDB code: 6hnb was solved by A.Kiliszek, K.Rzad, W.Rypniewski, S.Milewski, I.Gabriel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.29 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.371, 102.258, 147.051, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of Aminotransferase ARO8 From Candida Albicans (pdb code 6hnb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Aminotransferase ARO8 From Candida Albicans, PDB code: 6hnb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Aminotransferase ARO8 From Candida Albicans


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 Aminotransferase ARO8 From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:25.4 occ:1.00 O A:HOH855 3.1 31.0 1.0 O A:HOH774 3.1 19.0 1.0 N A:SER223 3.3 15.0 1.0 ND2 A:ASN386 3.5 29.1 1.0 CA A:SER222 3.6 17.4 1.0 C A:SER222 3.9 16.5 1.0 O A:SER223 4.0 17.7 1.0 CD1 A:PHE188 4.0 18.6 1.0 CB A:SER222 4.0 17.6 1.0 CA A:PHE188 4.3 17.0 1.0 O A:GLU187 4.3 19.9 1.0 CA A:SER223 4.3 16.0 1.0 CG A:ASN386 4.5 29.9 1.0 C A:SER223 4.6 16.9 1.0 CG2 A:VAL389 4.6 20.7 1.0 O A:GLY221 4.6 15.1 1.0 CB A:SER223 4.6 16.8 1.0 OD1 A:ASN386 4.7 30.6 1.0 CB A:PHE188 4.7 19.5 1.0 N A:SER222 4.7 17.3 1.0 O A:PHE188 4.7 14.8 1.0 CE1 A:PHE188 4.8 20.4 1.0 OG A:SER223 4.8 17.8 1.0 CG A:PHE188 4.8 19.7 1.0 C A:PHE188 4.9 15.7 1.0 N A:VAL389 5.0 17.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Aminotransferase ARO8 From Candida Albicans


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 Aminotransferase ARO8 From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:26.0 occ:1.00 O A:HOH978 2.7 40.5 1.0 O A:HOH803 3.0 23.1 1.0 OH A:TYR164 3.0 18.6 1.0 O A:HOH794 3.1 18.3 1.0 O A:HOH921 3.2 41.2 1.0 CE1 A:TYR164 3.8 18.9 1.0 CZ A:TYR164 3.9 18.9 1.0 CB A:SER435 4.0 17.4 1.0 CA A:SER435 4.0 17.1 1.0 N A:SER435 4.2 18.1 1.0 CD2 A:LEU414 4.5 29.2 1.0 C A:GLY434 4.7 16.8 1.0 O A:HIS459 4.7 20.1 1.0 OE2 A:GLU417 4.8 21.8 1.0 CE A:LYS457 4.9 50.8 1.0 CE1 A:PHE461 4.9 15.5 1.0 CA A:ILE460 4.9 18.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Aminotransferase ARO8 From Candida Albicans


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 Aminotransferase ARO8 From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:48.5 occ:1.00 ND1 B:HIS349 3.0 21.0 1.0 ND1 B:HIS121 3.1 16.1 1.0 SD B:MET124 3.7 27.0 1.0 CB B:HIS121 3.7 17.4 1.0 CE B:MET124 3.8 26.5 1.0 CG B:HIS121 3.8 17.6 1.0 CG B:HIS349 3.8 21.9 1.0 CE1 B:HIS349 3.9 20.4 1.0 CB B:HIS349 3.9 21.4 1.0 CD2 B:TYR352 3.9 18.9 1.0 CA B:HIS121 4.0 18.1 1.0 O B:HIS349 4.0 20.5 1.0 CA B:HIS349 4.1 21.9 1.0 CG B:LEU353 4.1 24.9 1.0 CE1 B:HIS121 4.2 17.3 1.0 CD2 B:LEU353 4.3 24.7 1.0 C B:HIS349 4.6 20.8 1.0 CB B:TYR352 4.6 18.8 1.0 CD1 B:LEU353 4.6 24.3 1.0 CG B:TYR352 4.8 18.5 1.0 CE2 B:TYR352 4.8 18.3 1.0 N B:HIS121 4.9 17.6 1.0 CZ B:PHE117 4.9 23.6 1.0 N B:LEU353 5.0 18.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Aminotransferase ARO8 From Candida Albicans


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 Aminotransferase ARO8 From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:32.5 occ:1.00 O B:HOH997 2.7 28.7 1.0 O B:HOH648 3.0 29.5 1.0 O B:HOH750 3.0 17.7 1.0 OH B:TYR164 3.1 24.7 1.0 CB B:SER435 3.8 14.9 1.0 CE1 B:TYR164 3.8 20.8 1.0 CZ B:TYR164 3.9 22.1 1.0 CA B:SER435 3.9 16.1 1.0 N B:SER435 4.2 16.8 1.0 CD2 B:LEU414 4.4 27.3 1.0 C B:GLY434 4.7 16.8 1.0 OE2 B:GLU417 4.7 19.7 1.0 O B:HIS459 4.7 26.9 1.0 CE1 B:PHE461 4.9 15.8 1.0 CA B:ILE460 4.9 20.7 1.0 CD1 B:PHE461 5.0 15.5 1.0

A.Kiliszek, W.Rypniewski, K.Rzad, S.Milewski, I.Gabriel. Crystal Structures of Aminotransferases ARO8 and ARO9 From Candida Albicans and Structural Insights Into Their Properties. J.Struct.Biol. V. 205 26 2019.
ISSN: ESSN 1095-8657
PubMed: 30742897
DOI: 10.1016/J.JSB.2019.02.001