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Bromine in PDB 6cr3: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp 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 CBR2, Beta, Gamma Datp Analogue, PDB code: 6cr3 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) 23.18 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.874, 79.669, 55.784, 90.00, 107.72, 90.00
R / Rfree (%) 17.5 / 22.7

Other elements in 6cr3:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue also contains other interesting chemical elements:

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

Bromine Binding Sites:

The binding sites of Bromine atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue (pdb code 6cr3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue, PDB code: 6cr3:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 6cr3

Go back to Bromine Binding Sites List in 6cr3
Bromine binding site 1 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:32.8
occ:1.00
BR1 A:H84401 0.0 32.8 1.0
C3B A:H84401 1.9 21.3 1.0
BR2 A:H84401 3.0 38.6 1.0
PG A:H84401 3.1 24.4 1.0
PB A:H84401 3.2 16.1 1.0
O2B A:H84401 3.2 15.0 1.0
O A:HOH562 3.3 31.1 1.0
O A:HOH836 3.3 23.2 1.0
O3G A:H84401 3.4 20.9 1.0
NH2 A:ARG183 3.4 17.5 1.0
O2G A:H84401 3.4 27.6 1.0
CB A:SER180 3.9 17.9 1.0
O1B A:H84401 4.2 17.4 1.0
O A:HOH704 4.2 20.5 1.0
O A:HOH589 4.3 27.7 1.0
O3A A:H84401 4.3 16.5 1.0
OG A:SER180 4.3 20.3 1.0
O1G A:H84401 4.4 18.8 1.0
O A:HOH771 4.5 29.8 1.0
CZ A:ARG183 4.5 18.2 1.0
NH1 A:ARG183 4.8 14.9 1.0
CA A:SER180 4.9 16.3 1.0
N A:SER180 5.0 18.2 1.0

Bromine binding site 2 out of 2 in 6cr3

Go back to Bromine Binding Sites List in 6cr3
Bromine binding site 2 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CBR2, Beta, Gamma Datp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:38.6
occ:1.00
BR2 A:H84401 0.0 38.6 1.0
C3B A:H84401 1.9 21.3 1.0
O3A A:H84401 2.9 16.5 1.0
BR1 A:H84401 3.0 32.8 1.0
PG A:H84401 3.1 24.4 1.0
PB A:H84401 3.1 16.1 1.0
O2G A:H84401 3.2 27.6 1.0
O A:HOH766 3.3 25.6 1.0
O1G A:H84401 3.4 18.8 1.0
O A:HOH673 3.6 36.4 1.0
O2A A:H84401 3.7 19.3 1.0
O A:HOH704 3.8 20.5 1.0
O A:HOH836 3.8 23.2 1.0
O2B A:H84401 3.9 15.0 1.0
PA A:H84401 3.9 19.3 1.0
O A:HOH743 4.0 35.5 1.0
O1B A:H84401 4.3 17.4 1.0
O3G A:H84401 4.4 20.9 1.0
O1A A:H84401 4.5 16.8 1.0
O A:HOH562 4.7 31.1 1.0
MG A:MG402 4.9 16.1 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 Jul 11 01:34:49 2024

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