Chlorine in PDB 4ahx: FLO5A Showing A Trinuclear Gadolinium Cluster on Its Surface

The structure of FLO5A Showing A Trinuclear Gadolinium Cluster on Its Surface, PDB code: 4ahx 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)	18.55 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.230, 62.150, 105.800, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.3

The structure of FLO5A Showing A Trinuclear Gadolinium Cluster on Its Surface also contains other interesting chemical elements:

Gadolinium

(Gd)

9 atoms

The binding sites of Chlorine atom in the FLO5A Showing A Trinuclear Gadolinium Cluster on Its Surface (pdb code 4ahx). 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 Showing A Trinuclear Gadolinium Cluster on Its Surface, PDB code: 4ahx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the FLO5A Showing A Trinuclear Gadolinium Cluster on Its Surface


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of FLO5A Showing A Trinuclear Gadolinium Cluster on Its Surface within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1280 b:10.4 occ:1.00 OH A:TYR102 3.0 9.7 1.0 O A:HOH2223 3.1 27.4 1.0 N A:GLY109 3.3 8.8 1.0 N A:GLY111 3.3 10.3 1.0 O A:CYS107 3.7 8.6 1.0 CA A:LYS108 3.8 9.8 0.4 CA A:GLY111 3.8 10.0 1.0 CA A:LYS108 3.8 9.1 0.4 CA A:LYS108 3.8 8.7 0.2 CZ A:TYR102 3.9 9.0 1.0 CE2 A:TYR102 3.9 8.5 1.0 N A:MET110 3.9 10.6 1.0 C A:LYS108 4.0 9.1 1.0 CD A:LYS108 4.1 12.9 0.4 CA A:GLY109 4.2 9.5 1.0 C A:CYS107 4.3 8.4 1.0 C A:GLY109 4.4 9.9 1.0 N A:LYS108 4.4 9.3 1.0 C A:MET110 4.4 10.8 1.0 CG A:LYS108 4.6 12.6 0.4 C A:GLY111 4.6 10.3 1.0 O A:GLY111 4.7 9.9 1.0 CA A:MET110 4.7 10.1 1.0 CB A:LYS108 4.8 10.9 0.4 CD A:LYS108 5.0 7.7 0.2 O A:HOH2221 5.0 20.8 1.0 CG A:LYS108 5.0 9.5 0.4 CB A:LYS108 5.0 9.2 0.4

Chlorine binding site 2 out of 2 in the FLO5A Showing A Trinuclear Gadolinium Cluster on Its Surface


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of FLO5A Showing A Trinuclear Gadolinium Cluster on Its Surface within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1281 b:12.4 occ:0.70 O A:HOH2177 3.0 11.4 1.0 O A:HOH2189 3.1 34.2 1.0 O A:HOH2121 3.2 23.9 1.0 N A:PRO95 3.4 11.4 1.0 CD A:PRO95 3.6 12.8 1.0 C A:PHE94 3.7 11.6 1.0 CB A:PRO86 3.7 9.8 1.0 CA A:PRO86 3.7 9.2 1.0 CA A:PRO95 3.8 11.2 1.0 CG A:PRO86 3.9 9.8 1.0 CB A:PRO95 4.1 11.7 1.0 CA A:PHE94 4.1 11.6 1.0 CG2 A:THR93 4.2 12.0 1.0 O A:PHE94 4.2 12.2 1.0 N A:PRO86 4.3 9.7 1.0 CG A:PRO95 4.3 12.7 1.0 O A:HOH2124 4.4 52.9 1.0 N A:PHE94 4.4 12.2 1.0 O A:THR93 4.5 14.0 1.0 C A:THR93 4.6 13.6 1.0 CD A:PRO86 4.7 9.5 1.0 O A:HOH2175 4.8 10.2 1.0 O A:HOH2241 4.9 21.2 1.0 C A:ILE85 4.9 9.1 1.0

M.Veelders, L.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