Atomistry » Fluorine » PDB 2rfn-2vfz » 2va2
Atomistry »
  Fluorine »
    PDB 2rfn-2vfz »
      2va2 »

Fluorine in PDB 2va2: Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand

Enzymatic activity of Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand

All present enzymatic activity of Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand:
2.7.7.7;

Protein crystallography data

The structure of Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand, PDB code: 2va2 was solved by A.Irimia, P.S.Pallan, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.57 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.139, 101.875, 111.062, 90.00, 94.92, 90.00
R / Rfree (%) 21.1 / 25

Other elements in 2va2:

The structure of Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand (pdb code 2va2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand, PDB code: 2va2:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 2va2

Go back to Fluorine Binding Sites List in 2va2
Fluorine binding site 1 out of 4 in the Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F6

b:45.7
occ:1.00
F4 D:DFT6 0.0 45.7 1.0
C4 D:DFT6 1.3 43.2 1.0
C3 D:DFT6 2.3 42.9 1.0
C5 D:DFT6 2.4 42.0 1.0
C5M D:DFT6 2.9 41.8 1.0
N6 D:DA7 3.4 32.3 1.0
O6 D:DG5 3.5 36.2 1.0
O C:HOH2016 3.6 44.6 1.0
C2 D:DFT6 3.6 43.2 1.0
C6 D:DFT6 3.6 40.9 1.0
C6 D:DG5 3.7 36.5 1.0
O4 C:DT12 3.9 47.4 1.0
O C:HOH2015 4.0 31.1 1.0
C5 D:DG5 4.1 36.5 1.0
C1 D:DFT6 4.1 41.2 1.0
C6 D:DA7 4.2 33.6 1.0
N1 D:DG5 4.3 36.0 1.0
N7 D:DG5 4.4 37.4 1.0
N1 C:DA13 4.4 40.6 1.0
O D:HOH2006 4.5 44.6 1.0
N1 D:DA7 4.6 35.9 1.0
F2 D:DFT6 4.7 47.9 1.0
O D:HOH2003 4.8 38.8 1.0
N3 A:DCT1345 4.8 49.5 1.0
C4 D:DG5 4.9 35.7 1.0
C4 C:DT12 4.9 48.4 1.0

Fluorine binding site 2 out of 4 in 2va2

Go back to Fluorine Binding Sites List in 2va2
Fluorine binding site 2 out of 4 in the Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F6

b:47.9
occ:1.00
F2 D:DFT6 0.0 47.9 1.0
C2 D:DFT6 1.3 43.2 1.0
C3 D:DFT6 2.3 42.9 1.0
C1 D:DFT6 2.4 41.2 1.0
O A:HOH2027 2.8 61.1 1.0
C1' D:DFT6 2.9 39.5 1.0
C2' D:DFT6 3.6 37.9 1.0
C4 D:DFT6 3.6 43.2 1.0
C6 D:DFT6 3.7 40.9 1.0
N2 D:DG5 3.7 32.5 1.0
C5 D:DA7 3.9 31.0 1.0
O2 A:DCT1345 4.0 49.4 1.0
C4 D:DA7 4.0 30.5 1.0
C2 D:DG5 4.0 35.0 1.0
C2 C:DA13 4.1 41.2 1.0
C5 D:DFT6 4.1 42.0 1.0
O4' D:DFT6 4.2 39.2 1.0
N7 D:DA7 4.2 31.6 1.0
O D:HOH2002 4.2 40.1 1.0
C6 D:DA7 4.2 33.6 1.0
N9 D:DA7 4.3 32.0 1.0
O4' D:DA7 4.3 32.1 1.0
N1 D:DG5 4.4 36.0 1.0
C8 D:DA7 4.4 33.7 1.0
N3 D:DA7 4.4 31.3 1.0
N3 D:DG5 4.5 34.2 1.0
N1 D:DA7 4.6 35.9 1.0
C2 D:DA7 4.6 33.3 1.0
F4 D:DFT6 4.7 45.7 1.0
N1 C:DA13 4.7 40.6 1.0
C2 A:DCT1345 4.8 49.6 1.0
N6 D:DA7 4.8 32.3 1.0
N3 C:DA13 4.9 41.8 1.0
C3' D:DFT6 4.9 38.4 1.0
C4' D:DFT6 4.9 38.8 1.0
C5' D:DA7 5.0 29.1 1.0
C1' D:DA7 5.0 30.2 1.0

Fluorine binding site 3 out of 4 in 2va2

Go back to Fluorine Binding Sites List in 2va2
Fluorine binding site 3 out of 4 in the Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F6

b:52.4
occ:1.00
F4 F:DFT6 0.0 52.4 1.0
C4 F:DFT6 1.3 49.0 1.0
C3 F:DFT6 2.3 48.4 1.0
C5 F:DFT6 2.4 49.8 1.0
C5M F:DFT6 2.9 50.0 1.0
O6 F:DG5 3.5 43.8 1.0
C2 F:DFT6 3.6 47.6 1.0
C6 F:DFT6 3.6 47.3 1.0
C6 F:DG5 3.7 42.1 1.0
N6 F:DA7 3.7 46.2 1.0
C5 F:DG5 3.8 40.8 1.0
N7 F:DG5 3.9 40.9 1.0
C1 F:DFT6 4.1 46.0 1.0
C6 F:DA7 4.4 45.8 1.0
N1 F:DG5 4.5 41.8 1.0
O4 E:DT12 4.5 53.5 1.0
N1 F:DA7 4.6 45.6 1.0
F2 F:DFT6 4.7 50.7 1.0
C4 F:DG5 4.7 41.2 1.0
N1 E:DA13 4.7 50.1 1.0
O F:HOH2004 4.7 39.4 1.0
C8 F:DG5 4.7 42.0 1.0

Fluorine binding site 4 out of 4 in 2va2

Go back to Fluorine Binding Sites List in 2va2
Fluorine binding site 4 out of 4 in the Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Complex Structure of Sulfolobus Solfataricus DPO4 and Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene Nucleotide in the Template Strand within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F6

b:50.7
occ:1.00
F2 F:DFT6 0.0 50.7 1.0
C2 F:DFT6 1.3 47.6 1.0
C3 F:DFT6 2.4 48.4 1.0
C1 F:DFT6 2.4 46.0 1.0
C1' F:DFT6 2.8 43.3 1.0
O F:HOH2005 3.4 45.1 1.0
C4 F:DFT6 3.6 49.0 1.0
C6 F:DFT6 3.6 47.3 1.0
N2 F:DG5 3.7 41.9 1.0
C2 F:DG5 3.8 41.2 1.0
O4' F:DFT6 3.8 42.0 1.0
N1 F:DG5 4.0 41.8 1.0
C2 E:DA13 4.0 50.4 1.0
O2 E:DCT1014 4.0 64.3 1.0
C2' F:DFT6 4.1 42.0 1.0
C5 F:DFT6 4.1 49.8 1.0
C4 F:DA7 4.1 40.2 1.0
C5 F:DA7 4.1 42.4 1.0
N3 F:DG5 4.2 40.2 1.0
N3 F:DA7 4.3 38.3 1.0
C6 F:DA7 4.4 45.8 1.0
O E:HOH2008 4.4 39.4 1.0
C2 F:DA7 4.4 42.8 1.0
N1 E:DA13 4.5 50.1 1.0
N1 F:DA7 4.5 45.6 1.0
N9 F:DA7 4.5 41.6 1.0
N7 F:DA7 4.6 41.9 1.0
N3 E:DCT1014 4.6 64.0 1.0
C2 E:DCT1014 4.6 65.8 1.0
O4' F:DA7 4.7 39.3 1.0
F4 F:DFT6 4.7 52.4 1.0
C6 F:DG5 4.7 42.1 1.0
C8 F:DA7 4.8 43.5 1.0
C4 F:DG5 4.8 41.2 1.0
C4' F:DFT6 4.8 40.2 1.0
N3 E:DA13 4.9 50.2 1.0
C3' F:DFT6 5.0 38.9 1.0
N6 F:DA7 5.0 46.2 1.0

Reference:

A.Irimia, R.L.Eoff, P.S.Pallan, F.P.Guengerich, M.Egli. Structure and Activity of Y-Class Dna Polymerase DPO4 From Sulfolobus Solfataricus with Templates Containing the Hydrophobic Thymine Analog 2,4- Difluorotoluene. J.Biol.Chem. V. 282 36421 2007.
ISSN: ISSN 0021-9258
PubMed: 17951245
DOI: 10.1074/JBC.M707267200
Page generated: Wed Jul 31 16:06:23 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