Chlorine in PDB 6y39: Hape-P88L Mutant Ccaat-Binding Complex From Aspergillus Nidulans with Cyca Dna

The structure of Hape-P88L Mutant Ccaat-Binding Complex From Aspergillus Nidulans with Cyca Dna, PDB code: 6y39 was solved by M.Groll, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.150, 103.500, 159.710, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 25.4

The binding sites of Chlorine atom in the Hape-P88L Mutant Ccaat-Binding Complex From Aspergillus Nidulans with Cyca Dna (pdb code 6y39). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hape-P88L Mutant Ccaat-Binding Complex From Aspergillus Nidulans with Cyca Dna, PDB code: 6y39:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hape-P88L Mutant Ccaat-Binding Complex From Aspergillus Nidulans with Cyca Dna


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hape-P88L Mutant Ccaat-Binding Complex From Aspergillus Nidulans with Cyca Dna within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl201 b:89.8 occ:1.00 ND1 F:HIS80 3.3 74.4 1.0 CE F:LYS115 3.5 62.0 1.0 O F:ASP81 3.5 0.7 1.0 NZ F:LYS115 3.6 64.5 1.0 OH E:TYR126 3.8 77.2 1.0 N F:ASP81 3.9 96.2 1.0 CB F:HIS80 3.9 84.0 1.0 CG F:HIS80 3.9 79.1 1.0 CE1 E:TYR126 4.1 76.1 1.0 C F:ASP81 4.2 0.7 1.0 CA F:HIS80 4.2 88.8 1.0 CE1 F:HIS80 4.2 73.1 1.0 CZ E:TYR126 4.4 75.1 1.0 C F:HIS80 4.4 92.4 1.0 NE2 F:HIS74 4.5 61.6 1.0 CA F:ASP81 4.6 0.4 1.0 CE1 F:HIS74 4.8 60.1 1.0 CD F:LYS115 5.0 60.0 1.0

Chlorine binding site 2 out of 2 in the Hape-P88L Mutant Ccaat-Binding Complex From Aspergillus Nidulans with Cyca Dna


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hape-P88L Mutant Ccaat-Binding Complex From Aspergillus Nidulans with Cyca Dna within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl201 b:86.8 occ:1.00 OH H:TYR126 3.2 64.0 1.0 ND1 I:HIS80 3.4 72.9 1.0 NZ I:LYS115 3.5 60.9 1.0 CE1 H:TYR126 3.7 66.4 1.0 N I:TYR82 3.8 83.2 1.0 CZ H:TYR126 3.9 66.2 1.0 N I:ASP81 4.0 87.3 1.0 CE I:LYS115 4.0 59.1 1.0 CB I:HIS80 4.0 80.8 1.0 CG I:HIS80 4.1 76.0 1.0 CA I:HIS80 4.4 85.7 1.0 CE1 I:HIS80 4.4 71.9 1.0 CA I:TYR82 4.4 81.3 1.0 C I:HIS80 4.6 85.6 1.0 CB I:ASP81 4.7 90.8 1.0 CA I:ASP81 4.7 89.6 1.0 C I:ASP81 4.8 87.1 1.0 NE2 I:HIS74 4.9 70.3 1.0 CE1 I:HIS74 4.9 69.3 1.0 O H:HOH304 5.0 61.6 1.0

P.Hortschansky, M.Misslinger, J.Moerl, F.Gsaller, M.J.Bromley, A.A.Brakhage, M.Groll, H.Haas, E.M.Huber. Structural Basis of Hape-P88L Based Antifungal Triazole Resistance in Aspergillus Fumigatus To Be Published.