Chlorine in PDB 4ahy: FLO5A Cocrystallized with 3 Mm GDAC3

The structure of FLO5A Cocrystallized with 3 Mm GDAC3, PDB code: 4ahy was solved by M.Veelders, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.29 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.300, 61.760, 106.080, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21.9

The structure of FLO5A Cocrystallized with 3 Mm GDAC3 also contains other interesting chemical elements:

Gadolinium

(Gd)

1 atom

The binding sites of Chlorine atom in the FLO5A Cocrystallized with 3 Mm GDAC3 (pdb code 4ahy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the FLO5A Cocrystallized with 3 Mm GDAC3, PDB code: 4ahy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the FLO5A Cocrystallized with 3 Mm GDAC3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of FLO5A Cocrystallized with 3 Mm GDAC3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1273 b:13.9 occ:1.00 OH A:TYR102 3.0 12.4 1.0 O A:HOH2179 3.2 21.5 1.0 N A:GLY109 3.2 10.4 1.0 N A:GLY111 3.4 11.4 1.0 O A:CYS107 3.6 10.3 1.0 CA A:GLY111 3.8 11.8 1.0 CA A:LYS108 3.8 10.3 0.4 CA A:LYS108 3.8 9.8 0.2 CZ A:TYR102 3.8 12.9 1.0 CA A:LYS108 3.8 10.0 0.4 N A:MET110 3.9 10.8 1.0 CE1 A:TYR102 3.9 10.9 1.0 C A:LYS108 3.9 10.1 1.0 CA A:GLY109 4.1 10.8 1.0 C A:CYS107 4.3 9.6 1.0 C A:GLY109 4.3 11.7 1.0 N A:LYS108 4.4 9.7 1.0 CD A:LYS108 4.5 13.0 0.4 C A:MET110 4.5 12.1 1.0 C A:GLY111 4.6 11.5 1.0 CE A:LYS108 4.6 13.1 0.4 CG A:LYS108 4.6 12.2 0.4 O A:GLY111 4.6 11.0 1.0 CD A:LYS108 4.8 6.3 0.2 CA A:MET110 4.8 11.7 1.0 CB A:LYS108 4.8 10.2 0.4 CG A:LYS108 4.9 9.2 0.2 CB A:LYS108 4.9 9.5 0.2

Chlorine binding site 2 out of 2 in the FLO5A Cocrystallized with 3 Mm GDAC3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of FLO5A Cocrystallized with 3 Mm GDAC3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1274 b:24.7 occ:1.00 O A:HOH2145 3.0 38.0 1.0 O A:HOH2134 3.1 14.6 1.0 O A:HOH2098 3.2 36.2 1.0 N A:PRO95 3.5 13.7 1.0 C A:PHE94 3.7 13.9 1.0 CB A:PRO86 3.7 12.1 1.0 CA A:PRO86 3.7 11.3 1.0 CD A:PRO95 3.8 14.1 1.0 CG A:PRO86 3.8 12.1 1.0 CA A:PRO95 3.9 13.2 1.0 CG2 A:THR93 4.0 15.2 1.0 CA A:PHE94 4.1 14.8 1.0 CB A:PRO95 4.2 12.9 1.0 O A:PHE94 4.2 13.7 1.0 N A:PHE94 4.3 15.0 1.0 O A:HOH2193 4.3 34.1 1.0 N A:PRO86 4.3 11.6 1.0 O A:HOH2194 4.3 40.0 1.0 O A:THR93 4.4 16.3 1.0 C A:THR93 4.4 15.7 1.0 CG A:PRO95 4.4 13.7 1.0 CD A:PRO86 4.6 11.9 1.0 O A:HOH2133 5.0 12.2 1.0

M.Veelders, L.-O.Essen. Complex Gadolinium-Oxo Clusters Formed Along Concave Protein Surfaces. Chembiochem V. 13 2187 2012.
ISSN: ISSN 1439-4227
PubMed: 22936626
DOI: 10.1002/CBIC.201200441