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

Protein crystallography data

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

Other elements in 4ahx:

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

Gadolinium (Gd) 9 atoms

Chlorine Binding Sites:

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 4ahx

Go back to Chlorine Binding Sites List in 4ahx
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 4ahx

Go back to Chlorine Binding Sites List in 4ahx
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

Reference:

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
Page generated: Fri Jul 11 12:50:33 2025

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