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Chlorine in PDB 3n2i: 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine

Enzymatic activity of 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine

All present enzymatic activity of 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine:
2.7.4.9;

Protein crystallography data

The structure of 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine, PDB code: 3n2i was solved by A.S.Halavaty, G.Minasov, L.Shuvalova, J.Winsor, I.Dubrovska, S.Peterson, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.64 / 2.25
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.600, 92.600, 231.538, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 26.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine (pdb code 3n2i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine, PDB code: 3n2i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3n2i

Go back to Chlorine Binding Sites List in 3n2i
Chlorine binding site 1 out of 2 in the 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:78.7
occ:1.00
 N A:GLY15 3.2 68.4 1.0
N A:LYS16 3.2 63.1 1.0
N A:GLY13 3.3 67.2 1.0
N A:ALA14 3.5 68.3 1.0
CG A:LYS16 3.6 67.2 1.0
CA A:GLY15 3.8 67.7 1.0
CA A:GLY13 3.8 69.7 1.0
C A:GLY13 3.8 70.1 1.0
CB A:LYS16 3.9 61.2 1.0
C A:GLY15 4.0 66.0 1.0
C A:ALA14 4.1 70.0 1.0
CA A:LYS16 4.1 62.4 1.0
C A:GLU12 4.3 67.4 1.0
CA A:ALA14 4.3 69.6 1.0
CA A:GLU12 4.4 66.7 1.0
CD A:LYS16 4.5 67.5 1.0
O A:LEU11 4.5 67.8 1.0
OE2 A:GLU12 4.6 74.9 1.0
O A:GLY13 4.7 72.1 1.0
CB A:ALA14 4.9 68.0 1.0
CG A:GLU12 4.9 70.2 1.0
N A:SER17 4.9 60.0 1.0
CD A:GLU12 5.0 72.2 1.0
O A:HOH240 5.0 30.8 1.0

Chlorine binding site 2 out of 2 in 3n2i

Go back to Chlorine Binding Sites List in 3n2i
Chlorine binding site 2 out of 2 in the 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl213

b:79.2
occ:1.00
 NZ B:LYS16 3.1 69.2 1.0
N B:GLY13 3.1 67.7 1.0
N B:LYS16 3.3 70.7 1.0
N B:GLY15 3.4 71.3 1.0
CG B:LYS16 3.5 66.7 1.0
N B:ALA14 3.6 68.0 1.0
CB B:LYS16 3.7 67.8 1.0
CE B:LYS16 3.8 64.9 1.0
CA B:GLY13 3.9 69.2 1.0
CA B:GLU12 4.0 64.5 1.0
C B:GLU12 4.0 66.5 1.0
CD B:LYS16 4.0 64.1 1.0
C B:GLY13 4.1 69.9 1.0
CA B:GLY15 4.1 73.3 1.0
OE1 B:GLU12 4.1 75.7 1.0
CA B:LYS16 4.1 70.1 1.0
O B:LEU11 4.2 64.0 1.0
C B:GLY15 4.2 72.1 1.0
CD B:GLU12 4.3 69.9 1.0
C B:ALA14 4.4 70.6 1.0
CA B:ALA14 4.5 68.9 1.0
CG B:GLU12 4.5 68.7 1.0
OE2 B:GLU12 4.9 69.5 1.0
CB B:GLU12 4.9 65.1 1.0
N B:SER17 5.0 72.6 1.0
CB B:ALA14 5.0 66.9 1.0
C B:LEU11 5.0 62.0 1.0

Reference:

A.S.Halavaty, G.Minasov, L.Shuvalova, J.Winsor, I.Dubrovska, S.Peterson, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.25 Angstrom Resolution Crystal Structure of A Thymidylate Kinase (Tmk) From Vibrio Cholerae O1 Biovar Eltor Str. N16961 in Complex with Thymidine To Be Published.
Page generated: Sun Jul 21 00:32:19 2024

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