Iodine in PDB 6s4l: Structure of Human KCTD1

The structure of Structure of Human KCTD1, PDB code: 6s4l was solved by D.M.Pinkas, J.C.Bufton, A.E.Fox, A.C.W.Pike, J.A.Newman, T.Krojer, L.Shrestha, N.A.Burgess-Brown, F.Von Delft, C.Arrowsmith, A.Edwards, C.Bountra, A.N.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.57 / 2.42
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.454, 95.870, 104.343, 90.00, 92.16, 90.00
R / Rfree (%)	24.5 / 28.1

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

Sodium

(Na)

2 atoms

The binding sites of Iodine atom in the Structure of Human KCTD1 (pdb code 6s4l). 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: 6s4l:
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 B:I301 b:64.3 occ:1.00 N B:GLY224 3.4 83.7 1.0 N C:GLY224 3.7 77.3 1.0 N E:GLY224 3.8 95.6 1.0 CA B:GLY223 4.0 58.6 1.0 CA A:GLY223 4.1 69.5 1.0 N A:GLY224 4.1 98.7 1.0 CA D:GLY223 4.2 81.6 1.0 C B:GLY223 4.2 75.1 1.0 CA E:GLY223 4.2 78.9 1.0 NA A:NA301 4.3 59.3 1.0 CA B:GLY224 4.3 90.3 1.0 N D:GLY224 4.3 76.9 1.0 C E:GLY223 4.4 93.8 1.0 CA C:GLY223 4.4 84.5 1.0 O A:GLY224 4.4 0.3 1.0 CA C:GLY224 4.5 83.9 1.0 C C:GLY223 4.6 70.8 1.0 C A:GLY223 4.6 74.5 1.0 CA E:GLY224 4.6 0.7 1.0 O B:GLY224 4.7 0.1 1.0 C D:GLY223 4.7 87.5 1.0 C B:GLY224 4.8 0.2 1.0 O D:GLY222 4.9 59.3 1.0 O A:GLY222 4.9 67.5 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 B:I302 b:47.2 occ:1.00 NA A:NA301 3.5 59.3 1.0 O B:GLY222 3.8 51.9 1.0 N B:GLY222 4.0 56.0 1.0 N A:GLY222 4.1 53.0 1.0 CA A:CYS221 4.1 58.6 1.0 CA C:CYS221 4.1 60.3 1.0 N C:GLY222 4.1 61.0 1.0 O C:GLY222 4.1 61.2 1.0 CA B:CYS221 4.1 53.2 1.0 CA D:CYS221 4.3 59.6 1.0 O E:GLY222 4.3 64.4 1.0 O A:GLY222 4.3 67.5 1.0 CA E:CYS221 4.4 69.3 1.0 N D:GLY222 4.4 73.9 1.0 N E:GLY222 4.4 76.8 1.0 C B:CYS221 4.5 59.0 1.0 CB C:CYS221 4.5 61.8 1.0 C A:CYS221 4.5 57.2 1.0 O D:GLY222 4.6 59.3 1.0 C C:CYS221 4.6 65.1 1.0 CB A:CYS221 4.6 47.8 1.0 CB B:CYS221 4.6 48.8 1.0 CB D:CYS221 4.6 61.7 1.0 O C:SER220 4.7 68.1 1.0 C B:GLY222 4.7 64.7 1.0 C D:CYS221 4.8 74.6 1.0 O D:SER220 4.8 53.0 1.0 CB E:CYS221 4.8 59.8 1.0 O A:SER220 4.8 62.5 1.0 C E:CYS221 4.8 70.4 1.0 NA A:NA302 4.9 43.5 1.0 O B:SER220 4.9 47.7 1.0 CA B:GLY222 4.9 57.9 1.0 C C:GLY222 5.0 68.4 1.0 O E:SER220 5.0 38.4 1.0

D.M.Pinkas, J.C.Bufton, A.E.Fox, A.C.W.Pike, J.A.Newman, T.Krojer, L.Shrestha, N.A.Burgess-Brown, F.Von Delft, C.Arrowsmith, A.Edwards, C.Bountra, A.N.Bullock. Structure of Human KCTD1 To Be Published.