Iodine in PDB 9foi: Structure of Human KCTD1

The structure of Structure of Human KCTD1, PDB code: 9foi was solved by D.M.Pinkas, W.Richardson, J.C.Bufton, A.E.Hunt, C.E.Manning, L.Shrestha, O.Borkowska, A.C.W.Pike, N.A.Burgess-Brown, A.N.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.89 / 2.71
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.558, 96.634, 115.995, 90, 98.09, 90
R / Rfree (%)	20.7 / 24.7

The structure of Structure of Human KCTD1 also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Iodine atom in the Structure of Human KCTD1 (pdb code 9foi). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structure of Human KCTD1, PDB code: 9foi:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Structure of Human KCTD1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Human KCTD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:58.3 occ:1.00 NA D:NA301 3.4 51.0 1.0 N C:GLY222 3.9 72.1 1.0 N D:GLY222 4.0 80.8 1.0 N B:GLY222 4.0 64.1 1.0 N A:GLY222 4.0 70.4 1.0 CA C:CYS221 4.1 68.3 1.0 CA A:CYS221 4.1 75.3 1.0 O B:GLY222 4.1 61.7 1.0 O A:GLY222 4.1 73.7 1.0 N E:GLY222 4.1 82.0 1.0 CA E:CYS221 4.1 70.8 1.0 CA D:CYS221 4.2 66.2 1.0 O E:GLY222 4.2 70.9 1.0 O C:GLY222 4.3 68.9 1.0 CB C:CYS221 4.3 71.8 1.0 CA B:CYS221 4.3 64.1 1.0 CB A:CYS221 4.3 78.7 1.0 O D:GLY222 4.3 63.7 1.0 CB E:CYS221 4.4 66.0 1.0 C D:CYS221 4.5 68.5 1.0 C A:CYS221 4.5 68.5 1.0 C C:CYS221 4.5 68.5 1.0 C E:CYS221 4.5 70.2 1.0 CB B:CYS221 4.6 65.4 1.0 C B:CYS221 4.6 59.0 1.0 NA A:NA302 4.7 71.5 1.0 O D:SER220 4.7 67.6 1.0 CB D:CYS221 4.8 64.0 1.0 O C:SER220 4.8 65.6 1.0 C B:GLY222 4.9 70.7 1.0 C A:GLY222 4.9 76.5 1.0 O A:SER220 4.9 70.5 1.0 CA D:GLY222 4.9 76.0 1.0 CA B:GLY222 4.9 68.9 1.0 CA C:GLY222 5.0 74.9 1.0 O E:SER220 5.0 55.3 1.0 C D:GLY222 5.0 73.2 1.0 C C:GLY222 5.0 78.9 1.0 C E:GLY222 5.0 75.9 1.0 O B:SER220 5.0 64.9 1.0 CA A:GLY222 5.0 77.0 1.0

Iodine binding site 2 out of 2 in the Structure of Human KCTD1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Human KCTD1 within 5.0Å range: probe atom residue distance (Å) B Occ C:I301 b:75.0 occ:1.00 N C:GLY224 3.4 92.5 1.0 N A:GLY224 3.5 90.7 1.0 N E:GLY224 3.6 93.5 1.0 N B:GLY224 3.6 92.0 1.0 CA C:GLY223 3.9 86.0 1.0 N D:GLY224 4.0 95.2 1.0 CA B:GLY223 4.0 79.5 1.0 CA D:GLY223 4.0 76.8 1.0 CA A:GLY223 4.0 80.9 1.0 C C:GLY223 4.2 91.0 1.0 CA E:GLY223 4.2 83.5 1.0 NA D:NA301 4.3 51.0 1.0 C A:GLY223 4.3 87.0 1.0 C B:GLY223 4.4 83.0 1.0 CA C:GLY224 4.4 100.0 1.0 C E:GLY223 4.4 92.0 1.0 CA E:GLY224 4.4 100.9 1.0 CA A:GLY224 4.4 92.4 1.0 CA B:GLY224 4.5 90.6 1.0 C D:GLY223 4.6 84.6 1.0 O C:GLY222 4.9 68.9 1.0 O D:GLY222 5.0 63.7 1.0 O B:GLY224 5.0 89.7 1.0 C E:GLY224 5.0 105.4 1.0

D.M.Pinkas, J.C.Bufton, A.E.Hunt, C.E.Manning, W.Richardson, A.N.Bullock. A Btb Extension and Ion-Binding Domain Contribute to the Pentameric Structure and TFAP2A Binding of KCTD1. Structure V. 32 1586 2024.
ISSN: ISSN 0969-2126
PubMed: 39191250
DOI: 10.1016/J.STR.2024.07.023