Chlorine in PDB 6gul: Siderophore Hydrolase Estb Mutant E211Q From Aspergillus Fumigatus

The structure of Siderophore Hydrolase Estb Mutant E211Q From Aspergillus Fumigatus, PDB code: 6gul was solved by F.Ecker, H.Haas, M.Groll, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.670, 91.830, 130.550, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.1

The binding sites of Chlorine atom in the Siderophore Hydrolase Estb Mutant E211Q From Aspergillus Fumigatus (pdb code 6gul). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Siderophore Hydrolase Estb Mutant E211Q From Aspergillus Fumigatus, PDB code: 6gul:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Siderophore Hydrolase Estb Mutant E211Q From Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Siderophore Hydrolase Estb Mutant E211Q From Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:63.6 occ:1.00 SG A:CYS107 3.3 49.4 1.0 CB A:CYS107 3.5 45.2 1.0 N A:CYS107 3.6 39.9 1.0 CB A:THR105 3.8 35.9 1.0 OD1 A:ASN178 3.9 47.0 1.0 N A:ALA106 3.9 35.5 1.0 CA A:CYS107 4.1 42.8 1.0 OG1 A:THR105 4.2 37.7 1.0 C A:ALA106 4.5 37.1 1.0 CA A:ALA106 4.6 35.8 1.0 CG2 A:THR105 4.6 36.0 1.0 C A:THR105 4.6 34.5 1.0 CB A:ALA106 4.6 35.1 1.0 CA A:THR105 4.7 34.5 1.0 CG A:ASN178 4.9 44.9 1.0

Chlorine binding site 2 out of 2 in the Siderophore Hydrolase Estb Mutant E211Q From Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Siderophore Hydrolase Estb Mutant E211Q From Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:56.9 occ:1.00 SG B:CYS107 3.1 43.4 0.5 ND2 B:ASN178 3.6 43.7 1.0 CB B:THR105 3.7 31.5 1.0 N B:CYS107 3.8 37.5 0.5 N B:CYS107 3.8 38.5 0.5 N B:ALA106 3.9 33.3 1.0 CB B:CYS107 4.0 37.7 0.5 OG1 B:THR105 4.1 31.6 1.0 CB B:CYS107 4.1 41.2 0.5 SG B:CYS107 4.3 36.6 0.5 CB B:ALA106 4.5 34.8 1.0 CA B:CYS107 4.5 38.4 0.5 CA B:CYS107 4.6 40.0 0.5 CA B:THR105 4.6 31.0 1.0 CG2 B:THR105 4.6 31.7 1.0 CA B:ALA106 4.6 35.0 1.0 C B:THR105 4.6 31.8 1.0 CG B:ASN178 4.7 43.4 1.0 C B:ALA106 4.7 36.9 1.0 OD1 B:ASN178 5.0 46.0 1.0

F.Ecker, H.Haas, M.Groll, E.M.Huber. Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights Into Fungal Siderophore Esterases. Angew. Chem. Int. Ed. Engl. V. 57 14624 2018.
ISSN: ESSN 1521-3773
PubMed: 30070018
DOI: 10.1002/ANIE.201807093