Atomistry » Fluorine » PDB 6cr2-6d27 » 6cto
Atomistry »
  Fluorine »
    PDB 6cr2-6d27 »
      6cto »

Fluorine in PDB 6cto: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue, PDB code: 6cto 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) 19.79 / 2.04
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.784, 79.168, 55.494, 90.00, 107.10, 90.00
R / Rfree (%) 17.9 / 23.2

Other elements in 6cto:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 2 atoms
Sodium (Na) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue (pdb code 6cto). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue, PDB code: 6cto:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6cto

Go back to Fluorine Binding Sites List in 6cto
Fluorine binding site 1 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F405

b:20.0
occ:1.00
F2B A:VT7405 0.0 20.0 1.0
C3B A:VT7405 1.4 29.4 1.0
F3B A:VT7405 2.2 23.7 1.0
PB A:VT7405 2.6 21.1 1.0
PG A:VT7405 2.7 26.8 1.0
O3A A:VT7405 2.9 26.0 1.0
O2G A:VT7405 3.1 26.6 1.0
O1G A:VT7405 3.3 21.8 1.0
O2B A:VT7405 3.4 24.8 1.0
O A:HOH659 3.4 34.3 1.0
O A:HOH643 3.7 25.5 1.0
O3G A:VT7405 3.9 24.7 1.0
O1B A:VT7405 3.9 18.7 1.0
PA A:VT7405 4.1 26.8 1.0
O2A A:VT7405 4.1 23.6 1.0
O A:HOH710 4.3 26.7 1.0
O1A A:VT7405 4.5 20.5 1.0
O A:HOH656 4.7 26.2 1.0
MG A:MG401 4.7 20.2 1.0

Fluorine binding site 2 out of 2 in 6cto

Go back to Fluorine Binding Sites List in 6cto
Fluorine binding site 2 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CF2, Beta, Gamma Dttp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F405

b:23.7
occ:1.00
F3B A:VT7405 0.0 23.7 1.0
C3B A:VT7405 1.3 29.4 1.0
F2B A:VT7405 2.2 20.0 1.0
PG A:VT7405 2.6 26.8 1.0
PB A:VT7405 2.6 21.1 1.0
O2B A:VT7405 2.9 24.8 1.0
O3G A:VT7405 2.9 24.7 1.0
O2G A:VT7405 3.2 26.6 1.0
NH2 A:ARG183 3.3 22.6 1.0
O1B A:VT7405 3.5 18.7 1.0
CB A:SER180 3.5 23.3 1.0
OG A:SER180 3.7 25.2 1.0
O1G A:VT7405 3.8 21.8 1.0
O A:HOH710 3.8 26.7 1.0
O3A A:VT7405 3.9 26.0 1.0
O A:HOH643 4.1 25.5 1.0
CZ A:ARG183 4.3 24.3 1.0
N A:SER180 4.4 21.6 1.0
O A:HOH634 4.4 34.9 1.0
NH1 A:ARG183 4.5 21.0 1.0
CA A:SER180 4.5 21.5 1.0
O A:HOH594 4.5 36.6 1.0
MG A:MG401 4.8 20.2 1.0

Reference:

V.K.Batra, K.Oertell, W.A.Beard, B.A.Kashemirov, C.E.Mckenna, M.F.Goodman, S.H.Wilson. Mapping Functional Substrate-Enzyme Interactions in the Pol Beta Active Site Through Chemical Biology: Structural Responses to Acidity Modification of Incoming Dntps. Biochemistry V. 57 3934 2018.
ISSN: ISSN 1520-4995
PubMed: 29874056
DOI: 10.1021/ACS.BIOCHEM.8B00418
Page generated: Thu Aug 1 18:40:25 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy