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Chlorine in PDB 3jps: Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate

Enzymatic activity of Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate

All present enzymatic activity of Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate, PDB code: 3jps was solved by V.K.Batra, J.Upton, B.Kashmerov, W.A.Beard, S.H.Wilson, M.F.Goodman, C.E.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.98 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.570, 79.860, 55.550, 90.00, 107.84, 90.00
R / Rfree (%) 19.1 / 23.7

Other elements in 3jps:

The structure of Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate also contains other interesting chemical elements:

Fluorine (F) 1 atom
Magnesium (Mg) 1 atom
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate (pdb code 3jps). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate, PDB code: 3jps:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3jps

Go back to Chlorine Binding Sites List in 3jps
Chlorine binding site 1 out of 3 in the Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl343

b:30.9
occ:1.00
NH2 A:ARG299 2.8 28.9 1.0
O A:HOH605 3.1 40.0 1.0
ND2 A:ASN294 3.2 18.7 1.0
OG1 A:THR297 3.2 22.8 1.0
NE A:ARG299 3.5 29.3 1.0
CZ A:ARG299 3.5 31.9 1.0
CB A:TYR296 3.9 21.2 1.0
OD1 A:ASN294 4.0 20.8 1.0
CG A:ASN294 4.0 19.6 1.0
CD2 A:TYR296 4.3 22.1 1.0
CB A:THR297 4.4 23.8 1.0
CG2 A:THR297 4.4 24.0 1.0
CG A:TYR296 4.5 22.3 1.0
N A:THR297 4.6 22.1 1.0
NH1 A:ARG299 4.7 32.6 1.0
CD A:ARG299 4.7 28.0 1.0
O A:HOH604 4.7 42.5 1.0
O A:HOH435 4.8 19.3 1.0

Chlorine binding site 2 out of 3 in 3jps

Go back to Chlorine Binding Sites List in 3jps
Chlorine binding site 2 out of 3 in the Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl344

b:38.4
occ:1.00
N A:HIS34 3.3 27.1 1.0
CB A:HIS34 3.4 29.5 1.0
N A:LYS35 3.5 24.5 1.0
C A:ALA32 3.5 25.1 1.0
CB A:ALA32 3.5 20.7 1.0
CA A:ALA32 3.6 25.1 1.0
CA A:HIS34 3.7 27.2 1.0
O A:ALA32 3.8 25.4 1.0
N A:ILE33 3.9 26.2 1.0
CD2 A:HIS34 4.0 31.9 1.0
CG A:HIS34 4.0 32.2 1.0
C A:HIS34 4.0 26.9 1.0
CG A:LYS35 4.1 26.0 1.0
C A:ILE33 4.3 26.3 1.0
CB A:LYS35 4.4 22.9 1.0
CA A:LYS35 4.5 22.3 1.0
CA A:ILE33 4.6 27.7 1.0
O A:HOH487 4.8 31.4 1.0
O A:HOH336 4.9 47.2 1.0
O6 D:DG1 4.9 32.1 1.0
CG2 A:ILE33 4.9 29.5 1.0

Chlorine binding site 3 out of 3 in 3jps

Go back to Chlorine Binding Sites List in 3jps
Chlorine binding site 3 out of 3 in the Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ternary Complex of Dna Polymerase Beta with A Dideoxy Terminated Primer and 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl Methylene Triphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl345

b:31.7
occ:1.00
O A:HOH438 3.0 22.6 1.0
N A:CYS267 3.3 18.4 1.0
N A:TYR266 3.5 19.3 1.0
CA A:GLN264 3.5 20.1 1.0
CG1 A:VAL313 3.5 26.0 1.0
C A:GLN264 3.5 20.4 1.0
CB A:TYR266 3.6 21.4 1.0
CB A:VAL313 3.8 26.1 1.0
O A:GLN264 3.8 19.6 1.0
CA A:TYR266 3.8 20.4 1.0
SG A:CYS267 3.8 21.8 1.0
O A:ASP263 3.9 21.8 1.0
N A:TYR265 4.0 19.2 1.0
C A:TYR266 4.0 20.4 1.0
CB A:CYS267 4.1 20.4 1.0
CD2 A:TYR266 4.2 27.2 1.0
CA A:CYS267 4.3 18.1 1.0
C A:TYR265 4.4 21.0 1.0
CG A:TYR266 4.4 24.0 1.0
CB A:GLN264 4.5 20.6 1.0
O A:VAL313 4.5 29.2 1.0
O A:TYR296 4.5 19.2 1.0
N A:GLN264 4.5 21.3 1.0
C A:ASP263 4.6 21.8 1.0
CG2 A:VAL313 4.6 23.4 1.0
CA A:TYR265 4.8 20.8 1.0
C A:VAL313 4.9 28.4 1.0
CG A:GLN264 5.0 22.5 1.0
CA A:VAL313 5.0 27.9 1.0

Reference:

V.K.Batra, L.C.Pedersen, W.A.Beard, S.H.Wilson, B.A.Kashemirov, T.G.Upton, M.F.Goodman, C.E.Mckenna. Halogenated Beta,Gamma-Methylene- and Ethylidene-Dgtp-Dna Ternary Complexes with Dna Polymerase Beta: Structural Evidence For Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc. V. 132 7617 2010.
ISSN: ISSN 0002-7863
PubMed: 20465217
DOI: 10.1021/JA909370K
Page generated: Fri Jul 11 06:41:02 2025

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