Gadolinium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Gadolinium atom in the FLO5A Cocrystallized with 3 Mm GDAC3 (pdb code 4ahy). This binding sites where shown within 5.0 Angstroms radius around Gadolinium atom.
In total only one binding site of Gadolinium was determined in the FLO5A Cocrystallized with 3 Mm GDAC3, PDB code: 4ahy:

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


Mono view


Stereo pair view

A full contact list of Gadolinium with other atoms in the Gd binding site number 1 of FLO5A Cocrystallized with 3 Mm GDAC3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Gd1272 b:10.6 occ:0.20 O A:TRP228 2.3 11.4 1.0 OD1 A:ASN224 2.3 11.7 1.0 O A:VAL226 2.3 10.5 1.0 OD1 A:ASP161 2.4 12.7 1.0 O A:HOH2269 2.4 14.1 1.0 CG A:ASP161 3.1 11.6 1.0 OD2 A:ASP161 3.3 13.2 1.0 CG A:ASN224 3.3 10.6 1.0 C A:TRP228 3.5 12.2 1.0 C A:VAL226 3.5 11.3 1.0 ND2 A:ASN224 3.7 12.7 1.0 N A:TRP228 3.9 11.8 1.0 N A:VAL226 4.1 11.3 1.0 C A:SER227 4.1 11.8 1.0 O A:HOH2046 4.1 30.9 1.0 CB A:ASP160 4.2 12.6 1.0 OG A:SER227 4.3 11.6 1.0 CA A:TRP228 4.3 11.9 1.0 O A:SER227 4.3 11.9 1.0 CA A:VAL226 4.4 11.8 1.0 O A:HOH2226 4.4 17.8 1.0 CG1 A:VAL226 4.4 13.9 1.0 C A:ASP160 4.4 11.8 1.0 O A:HOH2095 4.5 30.1 1.0 CB A:ASP161 4.5 12.0 1.0 N A:SER227 4.5 11.3 1.0 N A:GLY229 4.6 12.3 1.0 N A:ASP161 4.6 11.9 1.0 O A:HOH2152 4.6 40.5 1.0 CA A:SER227 4.7 11.7 1.0 O A:ASP160 4.7 11.2 1.0 CA A:ASP160 4.7 12.5 1.0 N A:ALA225 4.7 11.7 1.0 CB A:ASN224 4.7 11.0 1.0 CA A:GLY229 4.8 13.5 1.0 CA A:ASP161 4.9 12.2 1.0 CB A:TRP228 5.0 11.8 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