Iodine in PDB 3vn3: Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix

The structure of Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix, PDB code: 3vn3 was solved by H.Kondo, N.Xiao, Y.Hanada, H.Sugimoto, T.Hoshino, C.P.Garnham, P.L.Davies, S.Tsuda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.41 / 0.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.890, 41.630, 70.250, 81.53, 83.13, 62.43
R / Rfree (%)	11.2 / 12.9

The binding sites of Iodine atom in the Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix (pdb code 3vn3). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix, PDB code: 3vn3:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix within 5.0Å range: probe atom residue distance (Å) B Occ A:I91 b:10.4 occ:0.01 IE A:IYR91 0.0 10.4 0.0 O A:VAL173 1.5 5.5 1.0 IE A:IYR91 1.7 7.5 0.2 CE A:IYR91 2.1 4.6 0.8 C A:VAL173 2.3 4.7 1.0 O A:LEU190 2.7 5.3 1.0 N A:VAL173 2.8 4.4 1.0 N A:LYS192 2.8 7.4 1.0 OF A:IYR91 3.0 9.0 0.8 CA A:ALA191 3.1 5.5 1.0 CF A:IYR91 3.1 7.4 0.8 CA A:VAL173 3.1 4.6 1.0 C A:ALA191 3.2 5.2 1.0 CD A:IYR91 3.3 6.8 0.8 N A:ALA174 3.4 5.1 1.0 C A:LEU190 3.5 4.0 1.0 CE A:IYR91 3.6 6.4 0.2 O A:HOH448 3.7 10.7 1.0 CB A:LYS192 3.7 10.6 1.0 N A:ALA191 3.7 5.0 1.0 CA A:ALA174 3.8 5.6 1.0 CA A:LYS192 3.9 11.0 1.0 CB A:VAL173 3.9 5.2 1.0 C A:VAL172 3.9 4.1 1.0 CD A:IYR91 4.2 6.5 0.2 O A:ALA191 4.3 6.2 1.0 CB A:ALA191 4.4 6.2 1.0 CG2 A:VAL172 4.4 5.6 1.0 CG A:IYR91 4.4 7.8 0.8 C A:ALA174 4.5 5.4 1.0 CA A:VAL172 4.5 4.0 1.0 CC A:IYR91 4.7 4.7 0.8 CF A:IYR91 4.8 8.4 0.2 O A:VAL172 4.8 5.1 1.0 O A:ALA174 4.8 6.6 1.0 OF A:IYR91 4.9 10.0 0.2 CG1 A:VAL173 4.9 5.5 1.0 CA A:LEU190 4.9 4.2 1.0 CG2 A:VAL173 4.9 6.2 1.0 CG A:LYS192 5.0 14.3 1.0

Iodine binding site 2 out of 4 in the Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix within 5.0Å range: probe atom residue distance (Å) B Occ A:I91 b:7.5 occ:0.20 IE A:IYR91 0.0 7.5 0.2 CE A:IYR91 0.9 4.6 0.8 CF A:IYR91 1.4 7.4 0.8 OF A:IYR91 1.6 9.0 0.8 IE A:IYR91 1.7 10.4 0.0 CE A:IYR91 2.1 6.4 0.2 CD A:IYR91 2.5 6.8 0.8 O A:VAL173 2.8 5.5 1.0 CG A:IYR91 2.8 7.8 0.8 CD A:IYR91 3.0 6.5 0.2 CF A:IYR91 3.1 8.4 0.2 OF A:IYR91 3.2 10.0 0.2 C A:VAL173 3.3 4.7 1.0 CB A:LYS192 3.4 10.6 1.0 N A:LYS192 3.5 7.4 1.0 CC A:IYR91 3.5 4.7 0.8 CH A:IYR91 3.6 6.8 0.8 N A:VAL173 3.7 4.4 1.0 N A:ALA174 3.8 5.1 1.0 O A:LEU190 3.8 5.3 1.0 CA A:ALA174 3.9 5.6 1.0 CG2 A:VAL172 4.0 5.6 1.0 CA A:LYS192 4.1 11.0 1.0 C A:ALA191 4.1 5.2 1.0 CA A:VAL173 4.1 4.6 1.0 CE A:LYS192 4.2 20.8 1.0 CD A:LYS192 4.2 23.4 1.0 O A:HOH687 4.3 24.3 1.0 CG A:LYS192 4.3 14.3 1.0 CC A:IYR91 4.3 6.8 0.2 CG A:IYR91 4.3 7.8 0.2 CA A:ALA191 4.4 5.5 1.0 C A:VAL172 4.4 4.1 1.0 C A:LEU190 4.5 4.0 1.0 CB A:ALA174 4.7 7.5 1.0 N A:ALA191 4.8 5.0 1.0 O A:HOH751 4.8 23.2 1.0 CH A:IYR91 4.8 6.8 0.2 O A:ALA191 4.8 6.2 1.0 CB A:IYR91 4.9 5.2 0.8 C A:ALA174 5.0 5.4 1.0 CA A:VAL172 5.0 4.0 1.0

Iodine binding site 3 out of 4 in the Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix within 5.0Å range: probe atom residue distance (Å) B Occ B:I91 b:11.1 occ:0.01 IE B:IYR91 0.0 11.1 0.0 IE B:IYR91 1.4 8.2 0.2 O B:VAL173 1.9 6.3 1.0 CE B:IYR91 2.1 6.3 0.8 O B:LEU190 2.5 6.6 1.0 C B:VAL173 2.6 5.5 1.0 N B:LYS192 2.7 7.2 1.0 N B:VAL173 2.8 5.1 1.0 CF B:IYR91 3.0 6.8 0.8 CD B:IYR91 3.0 5.9 0.8 OF B:IYR91 3.0 9.5 0.8 CA B:ALA191 3.1 5.9 1.0 C B:ALA191 3.1 5.8 1.0 CE B:IYR91 3.2 8.2 0.2 CA B:VAL173 3.3 5.4 1.0 C B:LEU190 3.3 5.1 1.0 N B:ALA191 3.5 5.7 1.0 N B:ALA174 3.6 5.7 1.0 CA B:LYS192 3.6 7.9 1.0 CB B:LYS192 3.7 9.3 1.0 CD B:IYR91 3.7 6.4 0.2 C B:VAL172 3.8 4.8 1.0 CA B:ALA174 4.0 6.4 1.0 CG2 B:VAL172 4.1 6.1 1.0 O B:ALA191 4.1 6.6 1.0 CB B:VAL173 4.1 5.9 1.0 O B:HOH567 4.2 14.7 1.0 CG B:IYR91 4.3 7.1 0.8 CA B:VAL172 4.3 4.5 1.0 CC B:IYR91 4.3 5.5 0.8 CF B:IYR91 4.4 7.0 0.2 CB B:ALA191 4.4 6.6 1.0 OF B:IYR91 4.6 9.9 0.2 CA B:LEU190 4.7 5.2 1.0 O B:VAL172 4.7 5.5 1.0 CH B:IYR91 4.8 6.7 0.8 C B:ALA174 4.8 6.7 1.0 CB B:VAL172 4.9 5.3 1.0 CB B:LEU190 4.9 6.1 1.0 C B:LYS192 4.9 6.8 1.0

Iodine binding site 4 out of 4 in the Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Fungal Antifreeze Protein Exerts Hyperactivity By Constructing An Inequable Beta-Helix within 5.0Å range: probe atom residue distance (Å) B Occ B:I91 b:8.2 occ:0.20 IE B:IYR91 0.0 8.2 0.2 CE B:IYR91 1.3 6.3 0.8 IE B:IYR91 1.4 11.1 0.0 CF B:IYR91 1.7 6.8 0.8 OF B:IYR91 1.7 9.5 0.8 CE B:IYR91 2.1 8.2 0.2 O B:VAL173 2.7 6.3 1.0 CD B:IYR91 2.7 5.9 0.8 CD B:IYR91 3.0 6.4 0.2 CG B:IYR91 3.0 7.1 0.8 CF B:IYR91 3.0 7.0 0.2 C B:VAL173 3.1 5.5 1.0 CB B:LYS192 3.2 9.3 1.0 N B:LYS192 3.2 7.2 1.0 OF B:IYR91 3.2 9.9 0.2 CA B:LYS192 3.6 7.9 1.0 N B:ALA174 3.6 5.7 1.0 O B:HOH567 3.6 14.7 1.0 N B:VAL173 3.6 5.1 1.0 O B:LEU190 3.7 6.6 1.0 CA B:ALA174 3.7 6.4 1.0 CC B:IYR91 3.7 5.5 0.8 CH B:IYR91 3.8 6.7 0.8 C B:ALA191 3.9 5.8 1.0 CA B:VAL173 4.0 5.4 1.0 CG2 B:VAL172 4.0 6.1 1.0 CA B:ALA191 4.3 5.9 1.0 CG B:LYS192 4.3 11.0 1.0 CC B:IYR91 4.3 5.9 0.2 CG B:IYR91 4.3 7.5 0.2 O B:HOH574 4.3 20.5 1.0 C B:VAL172 4.4 4.8 1.0 C B:LEU190 4.5 5.1 1.0 CD B:LYS192 4.5 14.8 1.0 CB B:ALA174 4.5 8.5 1.0 N B:ALA191 4.7 5.7 1.0 O B:ALA191 4.7 6.6 1.0 C B:ALA174 4.8 6.7 1.0 CH B:IYR91 4.8 5.6 0.2 CA B:VAL172 4.9 4.5 1.0

H.Kondo, Y.Hanada, H.Sugimoto, T.Hoshino, C.P.Garnham, P.L.Davies, S.Tsuda. Ice-Binding Site of Snow Mold Fungus Antifreeze Protein Deviates From Structural Regularity and High Conservation Proc.Natl.Acad.Sci.Usa V. 109 9360 2012.
ISSN: ISSN 0027-8424
PubMed: 22645341
DOI: 10.1073/PNAS.1121607109