Iodine in PDB 1ian: Human P38 Map Kinase Inhibitor Complex

The structure of Human P38 Map Kinase Inhibitor Complex, PDB code: 1ian was solved by L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.100, 74.300, 77.900, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 30.1

The binding sites of Iodine atom in the Human P38 Map Kinase Inhibitor Complex (pdb code 1ian). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Human P38 Map Kinase Inhibitor Complex, PDB code: 1ian:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Human P38 Map Kinase Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human P38 Map Kinase Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I391 b:33.8 occ:1.00 I14 A:D13391 0.0 33.8 1.0 C14 A:D13391 2.1 23.8 1.0 C15 A:D13391 3.0 21.6 1.0 C13 A:D13391 3.0 23.8 1.0 C16 A:D13391 4.3 19.9 1.0 C12 A:D13391 4.3 22.7 1.0 C17 A:D13391 4.8 21.3 1.0

Iodine binding site 2 out of 3 in the Human P38 Map Kinase Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Human P38 Map Kinase Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I392 b:33.7 occ:1.00 I14 A:D13392 0.0 33.7 1.0 C14 A:D13392 2.1 21.4 1.0 C13 A:D13392 2.9 22.9 1.0 C15 A:D13392 3.0 20.9 1.0 C12 A:D13392 4.2 20.1 1.0 C16 A:D13392 4.3 20.6 1.0 C17 A:D13392 4.8 22.0 1.0

Iodine binding site 3 out of 3 in the Human P38 Map Kinase Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Human P38 Map Kinase Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I393 b:74.4 occ:1.00 I14 A:D13393 0.0 74.4 1.0 C14 A:D13393 2.1 60.1 1.0 C13 A:D13393 2.9 58.5 1.0 C15 A:D13393 3.0 57.6 1.0 C12 A:D13393 4.2 54.8 1.0 C16 A:D13393 4.3 55.3 1.0 CA A:LEU195 4.3 21.5 1.0 C17 A:D13393 4.7 54.8 1.0

L.Tong, S.Pav, D.M.White, S.Rogers, K.M.Crane, C.L.Cywin, M.L.Brown, C.A.Pargellis. A Highly Specific Inhibitor of Human P38 Map Kinase Binds in the Atp Pocket. Nat.Struct.Biol. V. 4 311 1997.
ISSN: ISSN 1072-8368
PubMed: 9095200
DOI: 10.1038/NSB0497-311