Iodine in PDB 2c47: Structure of Casein Kinase 1 Gamma 2

The structure of Structure of Casein Kinase 1 Gamma 2, PDB code: 2c47 was solved by G.Bunkoczi, P.Rellos, S.Das, E.Ugochukwu, O.Fedorov, F.Sobott, J.Eswaran, A.Amos, L.Ball, F.Von Delft, A.Bullock, J.Debreczeni, A.Turnbull, M.Sundstrom, J.Weigelt, C.Arrowsmith, A.Edwards, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.959, 97.088, 185.914, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.7

The structure of Structure of Casein Kinase 1 Gamma 2 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iodine atom in the Structure of Casein Kinase 1 Gamma 2 (pdb code 2c47). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Structure of Casein Kinase 1 Gamma 2, PDB code: 2c47:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Structure of Casein Kinase 1 Gamma 2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Casein Kinase 1 Gamma 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1300 b:70.7 occ:1.00 IAE A:5ID1300 0.0 70.7 1.0 C7 A:5ID1300 2.1 54.6 1.0 O A:HOH2011 3.0 30.4 1.0 C8 A:5ID1300 3.1 41.7 1.0 C5 A:5ID1300 3.2 44.8 1.0 N6 A:5ID1300 3.5 44.7 1.0 C6 A:5ID1300 3.8 49.2 1.0 CD1 A:LEU119 4.0 65.4 1.0 OH A:TYR93 4.1 60.5 1.0 CB A:ILE187 4.1 59.8 1.0 CD1 A:ILE187 4.1 54.0 1.0 CG2 A:ILE187 4.2 53.0 1.0 N9 A:5ID1300 4.2 51.4 1.0 C4 A:5ID1300 4.3 47.4 1.0 CG A:LEU119 4.6 61.3 1.0 CD1 A:LEU60 4.6 66.4 1.0 CG1 A:ILE187 4.7 59.4 1.0

Iodine binding site 2 out of 4 in the Structure of Casein Kinase 1 Gamma 2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Casein Kinase 1 Gamma 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I1300 b:66.0 occ:1.00 IAE B:5ID1300 0.0 66.0 1.0 C7 B:5ID1300 2.1 30.6 1.0 O B:HOH2007 3.0 23.0 1.0 C8 B:5ID1300 3.1 25.0 1.0 C5 B:5ID1300 3.2 36.8 1.0 O B:HOH2081 3.7 29.9 1.0 CD1 B:LEU119 3.7 65.0 1.0 N6 B:5ID1300 3.7 30.6 1.0 C6 B:5ID1300 3.9 28.7 1.0 OH B:TYR93 4.0 52.1 1.0 CD1 B:ILE187 4.1 48.5 1.0 CB B:ILE187 4.1 62.3 1.0 N9 B:5ID1300 4.3 39.2 1.0 CG2 B:ILE187 4.3 58.5 1.0 C4 B:5ID1300 4.3 40.6 1.0 CD1 B:LEU60 4.4 62.1 1.0 CG1 B:ILE187 4.7 53.6 1.0 CD2 B:LEU60 4.8 70.8 1.0 O5' B:5ID1300 4.9 43.1 1.0 CG B:LEU119 4.9 59.8 1.0

Iodine binding site 3 out of 4 in the Structure of Casein Kinase 1 Gamma 2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Casein Kinase 1 Gamma 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:I1300 b:0.1 occ:1.00 IAE C:5ID1300 0.0 0.1 1.0 C7 C:5ID1300 2.1 0.7 1.0 C8 C:5ID1300 3.1 0.5 1.0 C5 C:5ID1300 3.2 0.2 1.0 O C:HOH2003 3.3 56.9 1.0 N6 C:5ID1300 3.6 94.7 1.0 C6 C:5ID1300 3.8 0.2 1.0 N9 C:5ID1300 4.2 0.8 1.0 CB C:ILE187 4.3 59.2 1.0 CD1 C:ILE187 4.3 52.6 1.0 C4 C:5ID1300 4.3 0.8 1.0 OH C:TYR93 4.3 59.6 1.0 CD1 C:LEU60 4.4 68.4 1.0 CD1 C:LEU119 4.4 64.8 1.0 CG2 C:ILE187 4.5 55.5 1.0 CG1 C:ILE187 4.8 58.1 1.0 CD2 C:LEU60 4.8 60.3 1.0

Iodine binding site 4 out of 4 in the Structure of Casein Kinase 1 Gamma 2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Casein Kinase 1 Gamma 2 within 5.0Å range: probe atom residue distance (Å) B Occ D:I1300 b:75.5 occ:1.00 IAE D:5ID1300 0.0 75.5 1.0 C7 D:5ID1300 2.1 32.9 1.0 C8 D:5ID1300 3.1 47.1 1.0 C5 D:5ID1300 3.2 53.8 1.0 O D:HOH2003 3.2 35.8 1.0 N6 D:5ID1300 3.5 43.3 1.0 C6 D:5ID1300 3.7 51.7 1.0 O D:HOH2031 4.0 48.6 1.0 CD1 D:ILE187 4.1 50.2 1.0 CB D:ILE187 4.1 57.8 1.0 OH D:TYR93 4.1 56.6 1.0 CG2 D:ILE187 4.2 57.5 1.0 N9 D:5ID1300 4.2 51.9 1.0 CD1 D:LEU119 4.3 67.0 1.0 C4 D:5ID1300 4.3 57.3 1.0 CD1 D:LEU60 4.3 60.2 1.0 CD2 D:LEU119 4.6 66.6 1.0 NZ D:LYS75 4.6 71.5 1.0 CG1 D:ILE187 4.7 58.1 1.0 CD2 D:LEU60 4.8 67.0 1.0 O5' D:5ID1300 4.9 72.0 1.0

G.Bunkoczi, P.Rellos, S.Das, E.Ugochukwu, O.Fedorov, F.Sobott, J.Eswaran, A.Amos, L.Ball, F.Von Delft, A.Bullock, J.Debreczeni, A.Turnbull, M.Sundstrom, J.Weigelt, C.Arrowsmith, A.Edwards, S.Knapp. The Structure of Casein Kinase 1 Gamma 2 To Be Published.