Iodine in PDB 2wk6: Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil

All present enzymatic activity of Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil:
2.4.2.4;

The structure of Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil, PDB code: 2wk6 was solved by E.Mitsiki, A.C.Papageorgiou, S.Iyer, N.Thiyagarajan, S.H.Prior, D.Sleep, C.Finnis, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.59 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.911, 67.266, 212.274, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 28.3

The binding sites of Iodine atom in the Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil (pdb code 2wk6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil, PDB code: 2wk6:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil within 5.0Å range: probe atom residue distance (Å) B Occ A:I1482 b:72.9 occ:1.00 I5 A:IUR1482 0.0 72.9 1.0 C5 A:IUR1482 2.1 40.7 1.0 O A:THR118 3.1 30.8 1.0 C6 A:IUR1482 3.1 32.8 1.0 C4 A:IUR1482 3.1 38.3 1.0 O4 A:IUR1482 3.3 26.9 1.0 CG2 A:VAL241 3.5 34.0 1.0 CG2 A:ILE214 3.7 20.0 1.0 CG1 A:ILE214 3.8 24.7 1.0 CD2 A:LEU148 3.9 44.0 1.0 CD1 A:ILE214 4.0 22.0 1.0 C A:THR118 4.1 28.5 1.0 CG1 A:VAL208 4.2 24.9 1.0 CA A:THR118 4.4 30.9 1.0 CB A:ILE214 4.4 32.4 1.0 N3 A:IUR1482 4.4 31.3 1.0 N1 A:IUR1482 4.4 28.1 1.0 NH2 A:ARG202 4.4 27.8 1.0 CB A:THR118 4.5 32.9 1.0 CB A:VAL241 4.5 33.8 1.0 CG1 A:VAL241 4.5 36.2 1.0 O A:VAL208 4.9 31.7 1.0 CD1 A:ILE218 4.9 20.0 1.0 CG A:LEU148 5.0 48.0 1.0

Iodine binding site 2 out of 2 in the Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structural Features of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil within 5.0Å range: probe atom residue distance (Å) B Occ B:I1482 b:69.5 occ:1.00 I5 B:IUR1482 0.0 69.5 1.0 C5 B:IUR1482 2.1 42.3 1.0 O B:THR118 3.0 41.9 1.0 C6 B:IUR1482 3.1 35.5 1.0 C4 B:IUR1482 3.1 38.9 1.0 O4 B:IUR1482 3.3 37.0 1.0 CG2 B:VAL241 3.6 41.9 1.0 CD2 B:LEU148 3.6 26.3 1.0 CG1 B:ILE214 3.9 31.4 1.0 C B:THR118 3.9 34.8 1.0 CG2 B:ILE214 4.0 26.0 1.0 CG1 B:VAL208 4.1 20.9 1.0 CD1 B:ILE214 4.1 33.5 1.0 CA B:THR118 4.2 39.5 1.0 N3 B:IUR1482 4.4 33.5 1.0 N1 B:IUR1482 4.4 30.4 1.0 CB B:VAL241 4.5 36.2 1.0 CB B:ILE214 4.5 29.8 1.0 CB B:THR118 4.5 39.7 1.0 CG1 B:VAL241 4.6 39.5 1.0 NH2 B:ARG202 4.9 26.8 1.0 CG B:LEU148 4.9 32.8 1.0

E.Mitsiki, A.C.Papageorgiou, S.Iyer, N.Thiyagarajan, S.H.Prior, D.Sleep, C.Finnis, K.R.Acharya. Structures of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil. Biochem.Biophys.Res.Commun. V. 386 666 2009.
ISSN: ISSN 0006-291X
PubMed: 19555658
DOI: 10.1016/J.BBRC.2009.06.104