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Iodine in PDB 3vtk: Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Adp and 5-Iodo-Deoxyuridine-Monophosphate

Enzymatic activity of Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Adp and 5-Iodo-Deoxyuridine-Monophosphate

All present enzymatic activity of Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Adp and 5-Iodo-Deoxyuridine-Monophosphate:
2.7.1.21;

Protein crystallography data

The structure of Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Adp and 5-Iodo-Deoxyuridine-Monophosphate, PDB code: 3vtk was solved by K.Wild, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 3.00
Space group I 41
Cell size a, b, c (Å), α, β, γ (°) 83.700, 83.700, 156.300, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 30.5

Iodine Binding Sites:

The binding sites of Iodine atom in the Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Adp and 5-Iodo-Deoxyuridine-Monophosphate (pdb code 3vtk). 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 Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Adp and 5-Iodo-Deoxyuridine-Monophosphate, PDB code: 3vtk:

Iodine binding site 1 out of 1 in 3vtk

Go back to Iodine Binding Sites List in 3vtk
Iodine binding site 1 out of 1 in the Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Adp and 5-Iodo-Deoxyuridine-Monophosphate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Adp and 5-Iodo-Deoxyuridine-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I500

b:16.0
occ:1.00
 I5 A:5IU500 0.0 16.0 1.0
C5 A:5IU500 2.1 20.2 1.0
C4 A:5IU500 3.1 23.6 1.0
C6 A:5IU500 3.1 22.4 1.0
O4 A:5IU500 3.3 21.3 1.0
NE A:ARG163 3.6 18.6 1.0
CD A:ARG163 3.7 14.9 1.0
CE2 A:TYR132 4.1 29.3 1.0
CB A:ALA168 4.1 2.1 1.0
CZ2 A:TRP88 4.2 16.7 1.0
CH2 A:TRP88 4.2 15.2 1.0
N A:ALA168 4.3 11.2 1.0
N3 A:5IU500 4.4 25.5 1.0
CB A:ALA167 4.4 7.0 1.0
N1 A:5IU500 4.4 18.6 1.0
CA A:ALA168 4.4 8.1 1.0
CE2 A:TYR172 4.4 23.2 1.0
CD2 A:TYR172 4.5 18.8 1.0
CZ A:ARG163 4.5 22.9 1.0
OH A:TYR132 4.6 40.1 1.0
C A:ALA167 4.7 10.2 1.0
CZ A:TYR132 4.8 30.8 1.0
C2 A:5IU500 4.9 20.3 1.0
NH2 A:ARG163 4.9 30.9 1.0
CB A:ARG163 4.9 20.5 1.0
CG A:ARG163 4.9 23.9 1.0
CD2 A:TYR132 5.0 25.8 1.0
CE A:MET128 5.0 24.2 1.0

Reference:

K.Wild, T.Bohner, G.Folkers, G.E.Schulz. The Structures of Thymidine Kinase From Herpes Simplex Virus Type 1 in Complex with Substrates and A Substrate Analogue. Protein Sci. V. 6 2097 1997.
ISSN: ISSN 0961-8368
PubMed: 9336833
Page generated: Sun Aug 11 17:06:34 2024

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