Iodine in PDB 7x4u: Crystal Structure of ERK2 with An Allosteric Inhibitor 2

All present enzymatic activity of Crystal Structure of ERK2 with An Allosteric Inhibitor 2:
2.7.11.24;

The structure of Crystal Structure of ERK2 with An Allosteric Inhibitor 2, PDB code: 7x4u was solved by M.Yoshida, T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.87 / 1.98
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.743, 91.743, 100.308, 90, 90, 120
R / Rfree (%)	19.7 / 23.5

The binding sites of Iodine atom in the Crystal Structure of ERK2 with An Allosteric Inhibitor 2 (pdb code 7x4u). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of ERK2 with An Allosteric Inhibitor 2, PDB code: 7x4u:

Iodine binding site 1 out of 1 in the Crystal Structure of ERK2 with An Allosteric Inhibitor 2


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 ERK2 with An Allosteric Inhibitor 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:78.7 occ:1.00 IAE A:5ID401 0.0 78.7 1.0 C7 A:5ID401 2.1 49.9 1.0 H6N2 A:5ID401 2.9 38.5 1.0 OE1 A:GLN105 2.9 46.7 1.0 C8 A:5ID401 3.2 58.3 1.0 C5 A:5ID401 3.2 47.8 1.0 H8 A:5ID401 3.4 69.9 1.0 N6 A:5ID401 3.4 32.1 1.0 O A:HOH573 3.5 50.6 1.0 C6 A:5ID401 3.7 46.1 1.0 H6N1 A:5ID401 3.9 38.5 1.0 CD A:GLN105 3.9 48.9 1.0 NZ A:LYS54 4.0 68.7 1.0 O A:HOH602 4.3 44.3 1.0 N9 A:5ID401 4.3 58.3 1.0 C4 A:5ID401 4.3 49.2 1.0 CD1 A:LEU156 4.4 42.5 1.0 NE2 A:GLN105 4.7 40.8 1.0 CE A:LYS54 4.8 62.0 1.0 CB A:GLN105 4.8 34.5 1.0 CB A:CYS166 4.8 34.6 1.0 CG A:GLN105 4.9 34.6 1.0 CG1 A:ILE84 5.0 36.0 1.0

T.Kinoshita, M.Yoshida, H.Sugiyama. Structural Basis For Producing Allosteric ERK2 Inhibitors To Be Published.