Iodine in PDB 3sls: Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp

All present enzymatic activity of Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp:
2.7.12.2;

The structure of Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp, PDB code: 3sls was solved by C.Meier, T.A.Ceska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.502, 153.890, 48.209, 90.00, 101.48, 90.00
R / Rfree (%)	20.6 / 28.7

The structure of Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Iodine atom in the Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp (pdb code 3sls). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp, PDB code: 3sls:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:I500 b:44.5 occ:1.00 I25 A:77D500 0.0 44.5 1.0 C24 A:77D500 2.1 41.7 1.0 C23 A:77D500 3.0 41.6 1.0 C26 A:77D500 3.0 41.7 1.0 O A:VAL127 3.2 39.2 1.0 SG A:CYS207 3.7 35.8 0.5 C A:VAL127 4.0 39.0 1.0 CE2 A:PHE209 4.1 36.0 1.0 CZ A:PHE209 4.2 37.0 1.0 CB A:VAL127 4.2 38.3 1.0 C21 A:77D500 4.3 41.9 1.0 C27 A:77D500 4.3 41.1 1.0 CG1 A:VAL127 4.5 37.7 1.0 CA A:VAL127 4.5 38.3 1.0 O A:GLY128 4.7 41.0 1.0 CB A:CYS207 4.7 34.2 0.5 CB A:PHE129 4.7 42.3 1.0 CD2 A:LEU118 4.7 46.2 1.0 CG2 A:ILE126 4.8 36.0 1.0 C A:GLY128 4.8 40.8 1.0 N A:VAL127 4.8 38.3 1.0 CA A:CYS207 4.8 34.3 0.5 CA A:CYS207 4.8 34.5 0.5 CB A:MET143 4.8 42.2 1.0 C20 A:77D500 4.8 41.8 1.0 CD1 A:LEU118 4.9 45.7 1.0 N A:PHE129 4.9 41.6 1.0 SD A:MET143 4.9 40.3 1.0 CB A:CYS207 5.0 34.5 0.5 CA A:PHE129 5.0 42.5 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:I500 b:45.4 occ:1.00 I25 B:77D500 0.0 45.4 1.0 C24 B:77D500 2.1 41.4 1.0 O B:HOH450 2.9 46.5 1.0 C23 B:77D500 3.0 41.0 1.0 C26 B:77D500 3.0 40.2 1.0 O B:VAL127 3.1 39.2 1.0 SG B:CYS207 3.9 34.3 0.5 C B:VAL127 4.0 39.0 1.0 CZ B:PHE209 4.1 36.3 1.0 CB B:VAL127 4.2 38.4 1.0 C21 B:77D500 4.3 41.6 1.0 CE2 B:PHE209 4.3 35.5 1.0 C27 B:77D500 4.3 40.9 1.0 CG1 B:VAL127 4.4 38.4 1.0 CA B:VAL127 4.6 38.5 1.0 CB B:PHE129 4.6 41.7 1.0 O B:GLY128 4.7 41.0 1.0 CD1 B:LEU118 4.7 42.8 1.0 CD2 B:LEU118 4.8 42.8 1.0 C B:GLY128 4.8 40.8 1.0 CB B:MET143 4.8 41.9 1.0 N B:VAL127 4.8 38.3 1.0 CA B:CYS207 4.8 34.3 0.5 N B:PHE129 4.9 41.6 1.0 C20 B:77D500 4.9 41.4 1.0 CG2 B:ILE126 4.9 37.5 1.0 CA B:CYS207 4.9 34.3 0.5 CB B:CYS207 4.9 34.2 0.5 CA B:PHE129 4.9 42.4 1.0 CE1 B:PHE209 5.0 36.0 1.0

C.Meier, D.C.Brookings, T.A.Ceska, C.Doyle, H.Gong, D.Mcmillan, G.P.Saville, A.Mushtaq, D.Knight, S.Reich, L.H.Pearl, K.A.Powell, R.Savva, R.A.Allen. Engineering Human Mek-1 For Structural Studies: A Case Study of Combinatorial Domain Hunting. J.Struct.Biol. V. 177 329 2012.
ISSN: ISSN 1047-8477
PubMed: 22245778
DOI: 10.1016/J.JSB.2012.01.002