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Chlorine in PDB 6nks: Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp

Enzymatic activity of Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp

All present enzymatic activity of Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp, PDB code: 6nks was solved by V.K.Batra, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.27 / 2.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.607, 80.327, 55.391, 90.00, 108.13, 90.00
R / Rfree (%) 18.9 / 25.5

Other elements in 6nks:

The structure of Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp 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 Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp (pdb code 6nks). 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 Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp, PDB code: 6nks:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6nks

Go back to Chlorine Binding Sites List in 6nks
Chlorine binding site 1 out of 3 in the Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:55.7
occ:1.00
N A:LYS331 3.1 41.2 1.0
CD A:PRO330 3.3 44.4 1.0
N A:PRO330 3.4 47.2 1.0
CB A:PRO330 3.4 40.3 1.0
CD A:LYS331 3.5 53.4 1.0
CG A:PRO330 3.7 40.7 1.0
CA A:PRO330 3.8 44.4 1.0
CB A:LYS331 3.8 44.7 1.0
CB A:GLU329 3.9 50.8 1.0
C A:PRO330 3.9 41.1 1.0
CG A:LYS331 4.0 47.3 1.0
C A:GLU329 4.0 46.2 1.0
OE1 A:GLU329 4.0 52.5 1.0
CA A:LYS331 4.0 43.0 1.0
CA A:GLU329 4.4 48.8 1.0
O A:ARG182 4.4 37.2 1.0
CE A:LYS331 4.7 51.0 1.0
CG A:GLU329 4.7 47.6 1.0
O A:GLU329 4.8 48.1 1.0
CD A:GLU329 4.9 55.3 1.0

Chlorine binding site 2 out of 3 in 6nks

Go back to Chlorine Binding Sites List in 6nks
Chlorine binding site 2 out of 3 in the Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:45.2
occ:1.00
NH2 A:ARG299 2.4 59.2 1.0
OG1 A:THR297 3.1 41.5 1.0
ND2 A:ASN294 3.2 37.0 1.0
CZ A:ARG299 3.3 58.7 1.0
NE A:ARG299 3.4 52.8 1.0
OD1 A:ASN294 4.0 34.0 1.0
CB A:TYR296 4.1 38.3 1.0
CG A:ASN294 4.1 35.3 1.0
CG2 A:THR297 4.1 37.6 1.0
CB A:THR297 4.2 41.2 1.0
CD2 A:TYR296 4.2 34.9 1.0
NH1 A:ARG299 4.5 62.1 1.0
CG A:TYR296 4.6 34.8 1.0
CD A:ARG299 4.8 48.1 1.0
N A:THR297 4.8 38.8 1.0

Chlorine binding site 3 out of 3 in 6nks

Go back to Chlorine Binding Sites List in 6nks
Chlorine binding site 3 out of 3 in the Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ternary Complex Crystal Structure of K289M Variant of Dna Polymerase Beta with Beta-Gamma Chf Analog of Dgtp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:51.8
occ:1.00
N A:HIS34 3.4 36.7 1.0
CB A:ALA32 3.4 29.9 1.0
C A:ALA32 3.4 34.4 1.0
CA A:ALA32 3.5 37.6 1.0
CB A:HIS34 3.6 38.9 1.0
N A:LYS35 3.6 37.6 1.0
N A:ILE33 3.7 34.1 1.0
O A:ALA32 3.8 37.3 1.0
CA A:HIS34 3.9 34.6 1.0
ND1 A:HIS34 4.2 45.9 1.0
C A:HIS34 4.2 36.5 1.0
CG A:LYS35 4.2 36.7 1.0
CG A:HIS34 4.3 44.0 1.0
C A:ILE33 4.4 37.4 1.0
O6 D:DG1 4.7 37.3 1.0
CA A:ILE33 4.7 38.7 1.0
CB A:LYS35 4.7 31.5 1.0
CA A:LYS35 4.8 36.2 1.0
N A:ALA32 5.0 36.5 1.0

Reference:

V.K.Batra, S.H.Wilson. Ternary Complex Crystal Structure To Be Published.
Page generated: Mon Jul 29 12:06:20 2024

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