Atomistry » Bromine » PDB 1iha-1m9r » 1ki4
Atomistry »
  Bromine »
    PDB 1iha-1m9r »
      1ki4 »

Bromine in PDB 1ki4: Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine

Enzymatic activity of Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine

All present enzymatic activity of Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine:
2.7.1.21;

Protein crystallography data

The structure of Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine, PDB code: 1ki4 was solved by J.N.Champness, M.S.Bennett, F.Wien, R.Visse, W.C.Summers, M.R.Sanderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.00 / 2.34
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 114.100, 116.000, 108.700, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 30.9

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine (pdb code 1ki4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine, PDB code: 1ki4:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1ki4

Go back to Bromine Binding Sites List in 1ki4
Bromine binding site 1 out of 2 in the Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:15.5
occ:1.00
BR A:BTD1 0.0 15.5 1.0
C22 A:BTD1 1.8 25.5 1.0
C33 A:BTD1 2.9 26.5 1.0
O A:HIS164 2.9 15.6 1.0
S11 A:BTD1 3.1 25.1 1.0
CD1 A:TYR132 3.4 18.6 1.0
CE1 A:TYR132 3.5 17.6 1.0
CG A:TYR132 3.5 17.6 1.0
CZ A:TYR132 3.7 16.8 1.0
CB A:ALA168 3.7 14.3 1.0
N A:ALA168 3.8 14.0 1.0
CD2 A:TYR132 3.8 16.0 1.0
CB A:ALA167 3.8 17.1 1.0
CE2 A:TYR132 3.8 16.8 1.0
C A:HIS164 4.0 17.6 1.0
C44 A:BTD1 4.1 22.0 1.0
CA A:PRO165 4.2 18.7 1.0
CB A:ARG163 4.2 17.8 1.0
CB A:TYR132 4.2 13.9 1.0
C55 A:BTD1 4.3 20.3 1.0
CA A:ALA168 4.3 10.8 1.0
O A:PRO165 4.3 15.9 1.0
C A:ALA167 4.4 14.9 1.0
OH A:TYR132 4.4 15.1 1.0
CA A:ALA167 4.4 12.7 1.0
C A:PRO165 4.5 17.4 1.0
N A:ALA167 4.5 13.1 1.0
N A:PRO165 4.5 20.3 1.0
O A:MET128 4.6 15.5 1.0
C A:ARG163 4.7 19.7 1.0
O A:ARG163 4.8 20.9 1.0
N A:HIS164 4.8 20.5 1.0
CA A:GLY129 5.0 15.3 1.0
CD A:ARG163 5.0 19.9 1.0

Bromine binding site 2 out of 2 in 1ki4

Go back to Bromine Binding Sites List in 1ki4
Bromine binding site 2 out of 2 in the Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Thymidine Kinase From Herpes Simplex Virus Type I Complexed with 5-Bromothienyldeoxyuridine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br2

b:31.6
occ:1.00
BR B:BTD2 0.0 31.6 1.0
C22 B:BTD2 1.9 22.8 1.0
S11 B:BTD2 2.9 26.5 1.0
C33 B:BTD2 3.1 23.6 1.0
O B:HIS164 3.2 7.9 1.0
CD1 B:TYR132 3.3 14.6 1.0
CG B:TYR132 3.4 12.0 1.0
CE1 B:TYR132 3.4 12.4 1.0
CD2 B:TYR132 3.5 11.6 1.0
CZ B:TYR132 3.5 13.6 1.0
CE2 B:TYR132 3.5 13.7 1.0
CB B:ALA168 3.6 10.4 1.0
CB B:ALA167 3.7 12.8 1.0
N B:ALA168 3.7 8.0 1.0
C B:HIS164 4.0 5.1 1.0
O B:PRO165 4.0 5.8 1.0
CB B:ARG163 4.1 14.2 1.0
C44 B:BTD2 4.2 18.6 1.0
CB B:TYR132 4.3 15.4 1.0
CA B:ALA168 4.3 11.3 1.0
OH B:TYR132 4.3 17.4 1.0
CA B:PRO165 4.3 3.3 1.0
C55 B:BTD2 4.3 17.4 1.0
C B:ALA167 4.3 8.6 1.0
CA B:ALA167 4.4 9.5 1.0
C B:PRO165 4.4 5.8 1.0
N B:ALA167 4.4 11.1 1.0
N B:PRO165 4.5 6.2 1.0
N B:HIS164 4.7 10.0 1.0
C B:ARG163 4.7 9.2 1.0
CA B:GLY129 5.0 4.7 1.0
O B:ARG163 5.0 12.6 1.0
CA B:HIS164 5.0 6.3 1.0
O B:MET128 5.0 12.4 1.0

Reference:

J.N.Champness, M.S.Bennett, F.Wien, R.Visse, W.C.Summers, P.Herdewijn, E.De Clerq, T.Ostrowski, R.L.Jarvest, M.R.Sanderson. Exploring the Active Site of Herpes Simplex Virus Type-1 Thymidine Kinase By X-Ray Crystallography of Complexes with Aciclovir and Other Ligands. Proteins V. 32 350 1998.
ISSN: ISSN 0887-3585
PubMed: 9715911
DOI: 10.1002/(SICI)1097-0134(19980815)32:3<350::AID-PROT10>3.0.CO;2-8
Page generated: Mon Jul 7 03:22:52 2025

Last articles

Br in 5HMJ
Br in 5I5P
Br in 5I0B
Br in 5HNE
Br in 5HKB
Br in 5HJG
Br in 5H11
Br in 5HEX
Br in 5HCM
Br in 5HCJ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy