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Magnesium in PDB 6ctw: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp 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 CCL2, Beta, Gamma Dctp Analogue, PDB code: 6ctw 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) 22.29 / 1.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.894, 79.523, 55.495, 90.00, 107.82, 90.00
R / Rfree (%) 17.4 / 21.9

Other elements in 6ctw:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Sodium (Na) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue (pdb code 6ctw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue, PDB code: 6ctw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6ctw

Go back to Magnesium Binding Sites List in 6ctw
Magnesium binding site 1 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Mg101

b:39.5
occ:1.00
O D:HOH216 2.2 36.1 1.0
O A:HOH826 2.3 37.8 1.0
O D:HOH214 2.4 42.5 1.0
O T:HOH247 2.4 31.6 1.0
O T:HOH213 4.2 28.7 1.0
N3 T:DA4 4.3 28.0 1.0
O T:HOH249 4.4 36.1 1.0
O4' T:DC5 4.4 26.1 1.0
O D:HOH204 4.5 27.2 1.0
O A:HOH666 4.5 25.5 1.0
O T:HOH243 4.5 32.7 1.0
C4' T:DC5 4.5 30.0 1.0
O2 D:DC3 4.6 31.9 1.0
C5' T:DC5 4.7 27.4 1.0
OE1 A:GLU288 4.7 33.1 1.0
C2 T:DA4 4.8 24.1 1.0
N2 T:DG3 4.9 28.6 1.0

Magnesium binding site 2 out of 2 in 6ctw

Go back to Magnesium Binding Sites List in 6ctw
Magnesium binding site 2 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with CCL2, Beta, Gamma Dctp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:13.9
occ:1.00
OD2 A:ASP192 2.0 15.6 1.0
O1A A:VC8401 2.0 13.4 1.0
OD1 A:ASP190 2.0 18.1 1.0
O2G A:VC8401 2.1 17.8 1.0
O A:HOH531 2.1 14.1 1.0
O1B A:VC8401 2.1 15.3 1.0
CG A:ASP192 3.1 15.1 1.0
CG A:ASP190 3.2 17.1 1.0
PG A:VC8401 3.2 22.8 1.0
PB A:VC8401 3.2 15.2 1.0
PA A:VC8401 3.2 14.4 1.0
OD1 A:ASP192 3.5 16.1 1.0
O3G A:VC8401 3.6 22.5 1.0
O3A A:VC8401 3.6 17.0 1.0
OD2 A:ASP190 3.6 20.7 1.0
NA A:NA402 3.7 16.2 1.0
C3B A:VC8401 3.9 17.2 1.0
O A:HOH619 4.0 28.8 1.0
O A:ASP190 4.0 17.6 1.0
C5' A:VC8401 4.1 19.0 1.0
O5' A:VC8401 4.2 17.0 1.0
C A:ASP190 4.2 15.3 1.0
O A:HOH659 4.3 17.5 1.0
N A:ASP190 4.3 16.2 1.0
O2A A:VC8401 4.4 16.6 1.0
CB A:ASP192 4.4 18.2 1.0
CB A:ASP190 4.4 15.7 1.0
CA A:GLY179 4.4 13.3 1.0
O1G A:VC8401 4.5 22.0 1.0
O2B A:VC8401 4.5 14.9 1.0
CA A:ASP190 4.6 14.9 1.0
N A:SER180 4.7 16.7 1.0
N A:ASP192 4.8 17.3 1.0
CL1 A:VC8401 4.8 20.1 0.8
N A:MET191 4.8 13.2 1.0
OG A:SER180 4.9 20.9 1.0
O P:HOH205 4.9 29.8 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: Mon Sep 30 22:44:45 2024

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