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Chlorine in PDB 5j2d: Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus, PDB code: 5j2d 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) 50.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.740, 79.940, 55.480, 90.00, 107.63, 90.00
R / Rfree (%) 20.1 / 25.6

Other elements in 5j2d:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus (pdb code 5j2d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus, PDB code: 5j2d:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5j2d

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Chlorine binding site 1 out of 4 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus


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 Dna Polymerase Beta with C:C Mismatch at the Primer Terminus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:30.3
occ:1.00
O3' P:DC10 2.7 50.0 0.5
OH A:TYR271 3.0 18.8 1.0
O P:HOH101 3.2 28.3 1.0
NH1 A:ARG258 3.3 13.4 1.0
O A:HOH599 3.3 30.5 1.0
CE1 A:PHE272 3.7 16.6 1.0
C1' P:DC10 3.8 49.3 0.5
CD A:LYS234 3.8 22.0 1.0
C3' P:DC10 3.9 49.4 0.5
CZ A:TYR271 3.9 16.5 1.0
CE2 A:TYR271 4.0 15.6 1.0
C2' P:DC10 4.1 49.4 0.5
O4' P:DC10 4.2 49.2 0.5
CD A:ARG258 4.2 18.4 1.0
C4' P:DC10 4.3 49.5 0.5
CZ A:PHE272 4.4 15.3 1.0
O2 P:DC10 4.4 48.6 1.0
CZ A:ARG258 4.4 15.6 1.0
CD1 A:PHE272 4.4 13.9 1.0
CG A:ARG258 4.6 15.6 1.0
CG A:LYS234 4.7 17.7 1.0
NE A:ARG258 4.7 16.5 1.0
NZ A:LYS234 4.8 26.1 1.0
CB A:ARG258 4.8 13.6 1.0
CE A:LYS234 5.0 25.5 1.0
O P:HOH109 5.0 11.7 1.0
N1 P:DC10 5.0 48.5 1.0

Chlorine binding site 2 out of 4 in 5j2d

Go back to Chlorine Binding Sites List in 5j2d
Chlorine binding site 2 out of 4 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus


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 Dna Polymerase Beta with C:C Mismatch at the Primer Terminus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:35.1
occ:1.00
O A:HOH756 2.9 42.7 1.0
NH1 A:ARG299 2.9 39.8 1.0
O A:HOH746 3.0 40.2 1.0
O A:HOH792 3.0 32.2 1.0
ND2 A:ASN294 3.1 23.0 1.0
OG1 A:THR297 3.2 20.9 1.0
CZ A:ARG299 3.8 37.5 1.0
CB A:TYR296 3.9 22.8 1.0
CG A:ASN294 4.0 22.4 1.0
OD1 A:ASN294 4.0 24.3 1.0
CG2 A:THR297 4.1 21.3 1.0
CD2 A:TYR296 4.2 22.4 1.0
CB A:THR297 4.3 23.7 1.0
NH2 A:ARG299 4.4 38.5 1.0
CG A:TYR296 4.5 22.2 1.0
N A:THR297 4.6 22.2 1.0
NE A:ARG299 4.6 35.3 1.0
O T:HOH114 4.8 34.2 1.0
CD A:ARG299 4.8 31.8 1.0
O A:HOH518 4.9 25.4 1.0

Chlorine binding site 3 out of 4 in 5j2d

Go back to Chlorine Binding Sites List in 5j2d
Chlorine binding site 3 out of 4 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus


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 Dna Polymerase Beta with C:C Mismatch at the Primer Terminus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:55.4
occ:1.00
O A:HOH668 2.8 23.1 1.0
CA A:GLN264 3.4 20.4 1.0
N A:CYS267 3.4 17.1 1.0
C A:GLN264 3.5 19.9 1.0
N A:TYR266 3.7 19.3 1.0
O A:HOH695 3.7 44.9 1.0
O A:GLN264 3.7 20.3 1.0
SG A:CYS267 3.8 20.8 1.0
O A:ASP263 3.8 24.3 1.0
CG1 A:VAL313 3.8 29.4 1.0
CB A:VAL313 3.9 29.5 1.0
CB A:TYR266 3.9 23.6 1.0
CB A:CYS267 3.9 19.3 1.0
N A:TYR265 4.0 19.8 1.0
CA A:TYR266 4.1 19.2 1.0
C A:TYR266 4.2 18.3 1.0
CB A:GLN264 4.2 21.3 1.0
CA A:CYS267 4.3 17.5 1.0
CD2 A:TYR266 4.3 31.1 1.0
N A:GLN264 4.4 21.6 1.0
O A:TYR296 4.4 19.9 1.0
C A:ASP263 4.5 22.1 1.0
C A:TYR265 4.5 19.2 1.0
O A:VAL313 4.5 29.9 1.0
CG A:TYR266 4.6 27.6 1.0
CG2 A:VAL313 4.6 26.9 1.0
CG A:GLN264 4.7 23.3 1.0
CA A:TYR265 4.8 20.0 1.0
C A:VAL313 4.9 30.6 1.0

Chlorine binding site 4 out of 4 in 5j2d

Go back to Chlorine Binding Sites List in 5j2d
Chlorine binding site 4 out of 4 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ternary Complex Crystal Structure of Dna Polymerase Beta with C:C Mismatch at the Primer Terminus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:52.7
occ:1.00
O A:HOH597 3.1 33.1 1.0
N A:LEU82 3.2 22.5 1.0
OE2 A:GLU86 3.3 39.8 1.0
CA A:LYS81 3.7 24.9 1.0
CB A:LYS81 3.7 28.2 1.0
O A:HOH550 3.7 35.0 1.0
C A:LYS81 3.9 23.9 1.0
NH2 A:ARG89 3.9 41.7 1.0
O A:LEU82 3.9 25.7 1.0
CB A:LEU85 4.1 21.4 1.0
CA A:LEU82 4.1 24.9 1.0
CZ A:ARG89 4.2 41.1 1.0
CB A:LEU82 4.2 25.4 1.0
CD1 A:LEU85 4.3 18.7 1.0
O A:HOH697 4.3 34.1 1.0
CD A:GLU86 4.3 39.4 1.0
NH1 A:ARG89 4.3 43.4 1.0
C A:LEU82 4.5 25.2 1.0
CG A:GLU86 4.6 36.1 1.0
CG A:LEU85 4.8 18.4 1.0
NE A:ARG89 4.9 38.3 1.0
O A:GLY80 5.0 24.6 1.0
N A:GLU86 5.0 27.6 1.0
N A:LYS81 5.0 23.6 1.0

Reference:

V.K.Batra, W.A.Beard, L.C.Pedersen, S.H.Wilson. Structures of Dna Polymerase Mispaired Dna Termini Transitioning to Pre-Catalytic Complexes Support An Induced-Fit Fidelity Mechanism. Structure V. 24 1863 2016.
ISSN: ISSN 0969-2126
PubMed: 27642161
DOI: 10.1016/J.STR.2016.08.006
Page generated: Sat Jul 12 03:21:58 2025

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