Chlorine in PDB 6hnu: Crystal Structure of the Aminotransferase ARO8 From C. Albicans with Ligands

The structure of Crystal Structure of the Aminotransferase ARO8 From C. Albicans with Ligands, PDB code: 6hnu 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)	45.33 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.785, 102.090, 146.883, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of the Aminotransferase ARO8 From C. Albicans with Ligands (pdb code 6hnu). 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 the Aminotransferase ARO8 From C. Albicans with Ligands, PDB code: 6hnu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Aminotransferase ARO8 From C. Albicans with Ligands


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 Aminotransferase ARO8 From C. Albicans with Ligands within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:25.4 occ:1.00 O A:HOH779 3.2 28.5 1.0 O A:HOH686 3.2 16.6 1.0 N A:SER223 3.3 16.4 1.0 ND2 A:ASN386 3.5 30.6 1.0 CA A:SER222 3.6 17.3 1.0 O A:SER223 3.9 17.6 1.0 CD1 A:PHE188 3.9 21.5 1.0 C A:SER222 3.9 17.4 1.0 CB A:SER222 4.0 17.9 1.0 CA A:PHE188 4.3 18.4 1.0 CA A:SER223 4.3 17.5 1.0 O A:GLU187 4.4 19.2 1.0 CG A:ASN386 4.4 32.6 1.0 CG2 A:VAL389 4.5 21.5 1.0 O A:HOH1006 4.5 41.5 1.0 C A:SER223 4.5 18.2 1.0 OD1 A:ASN386 4.5 31.2 1.0 O A:GLY221 4.6 17.1 1.0 CB A:SER223 4.6 18.8 1.0 CE1 A:PHE188 4.6 23.9 1.0 O A:HOH607 4.6 38.8 1.0 CB A:PHE188 4.7 19.7 1.0 O A:PHE188 4.7 16.5 1.0 CG A:PHE188 4.8 21.1 1.0 N A:SER222 4.8 17.2 1.0 OG A:SER223 4.9 19.1 1.0 C A:PHE188 4.9 18.8 1.0 N A:VAL389 4.9 18.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Aminotransferase ARO8 From C. Albicans with Ligands


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 Aminotransferase ARO8 From C. Albicans with Ligands within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:25.0 occ:1.00 O A:HOH1041 2.8 45.7 1.0 OH A:TYR164 3.0 20.9 1.0 O A:HOH695 3.2 21.2 1.0 O A:HOH782 3.2 18.0 1.0 O A:HOH1001 3.3 37.6 1.0 CA A:SER435 3.8 17.2 1.0 CE1 A:TYR164 3.8 19.7 1.0 CB A:SER435 3.8 17.8 1.0 CZ A:TYR164 3.8 20.5 1.0 N A:SER435 4.1 16.8 1.0 CD2 A:LEU414 4.4 31.5 1.0 C A:GLY434 4.6 15.6 1.0 O A:HIS459 4.8 21.6 1.0 OE2 A:GLU417 4.8 19.7 1.0 O A:GLY434 5.0 15.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Aminotransferase ARO8 From C. Albicans with Ligands


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 the Aminotransferase ARO8 From C. Albicans with Ligands within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:28.4 occ:1.00 O B:HOH1006 3.1 37.7 1.0 O B:HOH854 3.2 27.4 1.0 O B:HOH709 3.2 21.6 1.0 N B:SER223 3.2 17.9 1.0 ND2 B:ASN386 3.5 37.5 1.0 CA B:SER222 3.7 18.8 1.0 O B:SER223 3.8 24.2 1.0 C B:SER222 3.8 19.4 1.0 CD1 B:PHE188 4.1 23.6 1.0 CA B:SER223 4.2 18.8 1.0 CB B:SER222 4.3 19.6 1.0 CG B:ASN386 4.4 38.9 1.0 OD1 B:ASN386 4.4 34.9 1.0 CA B:PHE188 4.4 18.7 1.0 C B:SER223 4.5 20.5 1.0 O B:GLU187 4.5 22.6 1.0 CG2 B:VAL389 4.5 25.6 1.0 O B:GLY221 4.5 19.9 1.0 CB B:SER223 4.5 17.0 1.0 CB B:PHE188 4.8 19.4 1.0 OG B:SER223 4.8 16.8 1.0 N B:SER222 4.8 19.7 1.0 CE1 B:PHE188 4.9 27.7 1.0 O B:PHE188 4.9 19.7 1.0 N B:VAL389 4.9 21.5 1.0 CG B:PHE188 4.9 21.9 1.0 CG1 B:VAL389 4.9 30.0 1.0 C B:PHE188 5.0 20.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Aminotransferase ARO8 From C. Albicans with Ligands


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 the Aminotransferase ARO8 From C. Albicans with Ligands within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:28.6 occ:1.00 O B:HOH1064 2.7 29.6 1.0 O B:HOH1058 2.9 40.7 1.0 OH B:TYR164 3.1 23.4 1.0 O B:HOH669 3.2 30.5 1.0 O B:HOH664 3.2 20.0 1.0 CE2 B:TYR164 3.8 20.3 1.0 CZ B:TYR164 3.9 20.8 1.0 CA B:SER435 3.9 18.1 1.0 CB B:SER435 3.9 17.0 1.0 N B:SER435 4.2 17.0 1.0 CD2 B:LEU414 4.4 28.6 1.0 O B:HOH1061 4.5 48.2 1.0 C B:GLY434 4.7 16.9 1.0 O B:HIS459 4.7 25.8 1.0 OE2 B:GLU417 4.8 20.4 1.0 CE B:LYS457 4.8 54.4 1.0 CA B:ILE460 5.0 22.0 1.0 O B:GLY434 5.0 16.6 1.0 CE1 B:PHE461 5.0 18.2 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