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

Enzymatic activity of 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;

Protein crystallography data

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

Iodine Binding Sites:

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 2wk6

Go back to Iodine Binding Sites List in 2wk6
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 2wk6

Go back to Iodine Binding Sites List in 2wk6
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

Reference:

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
Page generated: Sun Dec 13 19:25:32 2020

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