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Bromine in PDB 1osn: Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp

Enzymatic activity of Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp

All present enzymatic activity of Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp:
2.7.1.21;

Protein crystallography data

The structure of Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp, PDB code: 1osn was solved by L.E.Bird, J.Ren, A.Wright, K.D.Leslie, B.Degreve, J.Balzarini, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.78 / 3.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 99.700, 54.200, 167.800, 90.00, 94.80, 90.00
R / Rfree (%) 23.5 / 26.8

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp (pdb code 1osn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp, PDB code: 1osn:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 1osn

Go back to Bromine Binding Sites List in 1osn
Bromine binding site 1 out of 4 in the Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp


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 Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br500

b:77.3
occ:1.00
 BR A:BVP500 0.0 77.3 1.0
C5B A:BVP500 2.0 56.9 1.0
C5A A:BVP500 3.0 43.7 1.0
CD2 A:HIS97 3.3 4.5 1.0
CB A:SER135 3.5 5.5 1.0
N A:SER135 3.7 4.5 1.0
CB A:ALA134 3.9 9.8 1.0
NE2 A:HIS97 3.9 22.9 1.0
CG A:HIS97 4.1 17.0 1.0
OG A:SER135 4.1 7.4 1.0
CA A:SER135 4.1 4.5 1.0
C5 A:BVP500 4.1 32.2 1.0
CZ2 A:TRP53 4.1 17.6 1.0
C A:ALA134 4.3 5.5 1.0
CD A:ARG130 4.4 12.8 1.0
O4 A:BVP500 4.5 39.6 1.0
O A:HIS131 4.5 12.3 1.0
CH2 A:TRP53 4.6 19.4 1.0
CB A:HIS97 4.6 12.2 1.0
O A:PHE93 4.6 19.1 1.0
CB A:ARG130 4.6 13.2 1.0
CA A:ALA134 4.7 5.4 1.0
C4 A:BVP500 4.7 27.4 1.0
O A:HOH601 4.9 12.1 1.0
O A:PRO132 4.9 17.1 1.0
CE1 A:HIS97 4.9 32.3 1.0
CB A:PHE93 4.9 11.4 1.0

Bromine binding site 2 out of 4 in 1osn

Go back to Bromine Binding Sites List in 1osn
Bromine binding site 2 out of 4 in the Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp


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 Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1500

b:74.7
occ:1.00
 BR B:BVP1500 0.0 74.7 1.0
C5B B:BVP1500 2.0 54.4 1.0
C5A B:BVP1500 2.9 39.2 1.0
CD2 B:HIS97 3.3 28.8 1.0
CB B:SER135 3.5 9.8 1.0
N B:SER135 3.6 10.4 1.0
CB B:ALA134 3.8 4.5 1.0
NE2 B:HIS97 4.0 39.1 1.0
CA B:SER135 4.0 7.8 1.0
C5 B:BVP1500 4.0 35.3 1.0
OG B:SER135 4.0 27.1 1.0
CZ2 B:TRP53 4.1 18.5 1.0
CG B:HIS97 4.1 32.9 1.0
C B:ALA134 4.3 11.7 1.0
CD B:ARG130 4.4 7.1 1.0
O4 B:BVP1500 4.4 53.7 1.0
O B:HIS131 4.5 13.6 1.0
O B:PHE93 4.6 28.3 1.0
CH2 B:TRP53 4.6 19.0 1.0
CA B:ALA134 4.6 6.5 1.0
CB B:HIS97 4.6 25.4 1.0
C4 B:BVP1500 4.7 37.7 1.0
CB B:ARG130 4.7 6.6 1.0
O B:PRO132 4.9 11.1 1.0
CB B:PHE93 4.9 11.1 1.0
N B:ALA134 5.0 10.4 1.0

Bromine binding site 3 out of 4 in 1osn

Go back to Bromine Binding Sites List in 1osn
Bromine binding site 3 out of 4 in the Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br2500

b:86.5
occ:1.00
 BR C:BVP2500 0.0 86.5 1.0
C5B C:BVP2500 2.0 62.4 1.0
C5A C:BVP2500 3.0 42.3 1.0
CD2 C:HIS97 3.3 32.8 1.0
CB C:SER135 3.5 6.6 1.0
N C:SER135 3.7 13.3 1.0
CB C:ALA134 3.9 4.5 1.0
NE2 C:HIS97 4.0 45.4 1.0
C5 C:BVP2500 4.0 31.6 1.0
CA C:SER135 4.0 9.9 1.0
CZ2 C:TRP53 4.1 18.0 1.0
OG C:SER135 4.1 16.9 1.0
CG C:HIS97 4.1 31.9 1.0
C C:ALA134 4.3 10.2 1.0
O4 C:BVP2500 4.4 50.1 1.0
CD C:ARG130 4.4 8.1 1.0
CH2 C:TRP53 4.5 22.4 1.0
CB C:HIS97 4.6 23.7 1.0
O C:PHE93 4.6 25.9 1.0
O C:HIS131 4.6 21.7 1.0
CA C:ALA134 4.7 5.4 1.0
C4 C:BVP2500 4.7 35.8 1.0
CB C:ARG130 4.7 8.6 1.0
CB C:PHE93 4.8 13.9 1.0
O C:PRO132 4.8 5.7 1.0

Bromine binding site 4 out of 4 in 1osn

Go back to Bromine Binding Sites List in 1osn
Bromine binding site 4 out of 4 in the Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Varicella Zoster Virus Thymidine Kinase in Complex with Bvdu-Mp and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br3500

b:99.0
occ:1.00
 BR D:BVP3500 0.0 99.0 1.0
C5B D:BVP3500 2.0 58.8 1.0
C5A D:BVP3500 2.9 48.9 1.0
CD2 D:HIS97 3.3 18.9 1.0
CB D:SER135 3.6 4.5 1.0
N D:SER135 3.7 7.5 1.0
CB D:ALA134 3.9 4.5 1.0
NE2 D:HIS97 4.0 32.7 1.0
C5 D:BVP3500 4.0 35.7 1.0
CA D:SER135 4.1 4.8 1.0
CZ2 D:TRP53 4.1 11.6 1.0
OG D:SER135 4.1 9.4 1.0
CG D:HIS97 4.1 18.8 1.0
C D:ALA134 4.3 9.0 1.0
CD D:ARG130 4.4 16.4 1.0
O4 D:BVP3500 4.5 43.3 1.0
CH2 D:TRP53 4.5 15.7 1.0
O D:PHE93 4.5 25.1 1.0
O D:HIS131 4.6 21.6 1.0
CB D:HIS97 4.6 21.8 1.0
CA D:ALA134 4.6 4.5 1.0
CB D:ARG130 4.7 13.1 1.0
C4 D:BVP3500 4.7 28.9 1.0
CB D:PHE93 4.9 10.1 1.0
O D:PRO132 4.9 22.4 1.0

Reference:

L.E.Bird, J.Ren, A.Wright, K.D.Leslie, B.Degreve, J.Balzarini, D.K.Stammers. Crystal Structure of Varicella Zoster Virus Thymidine Kinase J.Biol.Chem. V. 278 24680 2003.
ISSN: ISSN 0021-9258
PubMed: 12686543
DOI: 10.1074/JBC.M302025200
Page generated: Wed Jul 10 17:08:10 2024

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