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Magnesium in PDB 3kd5: Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid.

Enzymatic activity of Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid.

All present enzymatic activity of Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid.:
2.7.7.7;

Protein crystallography data

The structure of Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid., PDB code: 3kd5 was solved by K.E.Zahn, S.Doublie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.69
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.855, 122.481, 133.371, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 26.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid. (pdb code 3kd5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid., PDB code: 3kd5:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3kd5

Go back to Magnesium Binding Sites List in 3kd5
Magnesium binding site 1 out of 3 in the Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg915

b:43.1
occ:0.80
OD1 E:ASP623 1.8 38.3 1.0
OP1 P:4DG114 1.8 42.9 1.0
O E:HOH1077 2.3 38.5 1.0
OD1 E:ASP411 2.4 38.8 1.0
O3' P:DA113 2.4 41.4 1.0
O P:HOH206 2.5 40.2 1.0
P P:4DG114 2.6 44.1 1.0
CG E:ASP623 2.8 38.1 1.0
OD2 E:ASP411 2.9 39.0 1.0
CG E:ASP411 3.0 38.4 1.0
OD2 E:ASP623 3.2 39.5 1.0
MG E:MG916 3.2 42.2 1.0
O5' P:4DG114 3.5 42.8 1.0
C3' P:DA113 3.7 41.8 1.0
OP2 P:4DG114 3.8 41.2 1.0
O E:ASP621 4.1 34.8 1.0
CB E:ASP623 4.2 35.3 1.0
C4' P:DA113 4.2 41.4 1.0
C E:ASP623 4.2 35.0 1.0
N E:ASP623 4.3 34.7 1.0
O E:HOH998 4.4 41.0 1.0
O E:ASP623 4.4 35.5 1.0
C5' P:DA113 4.4 40.6 1.0
CA E:ASP623 4.5 35.3 1.0
O5 E:PPF914 4.5 41.8 1.0
CB E:ASP411 4.5 36.8 1.0
N E:SER624 4.5 33.9 1.0
CB E:SER624 4.5 34.1 1.0
O1 E:PPF914 4.5 42.0 1.0
C2' P:DA113 4.7 41.6 1.0
O5' P:DA113 4.8 40.9 1.0
C5' P:4DG114 4.9 42.3 1.0

Magnesium binding site 2 out of 3 in 3kd5

Go back to Magnesium Binding Sites List in 3kd5
Magnesium binding site 2 out of 3 in the Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg916

b:42.2
occ:1.00
OD2 E:ASP623 2.0 39.5 1.0
O5 E:PPF914 2.0 41.8 1.0
OD2 E:ASP411 2.1 39.0 1.0
O E:LEU412 2.2 39.2 1.0
O1 E:PPF914 2.2 42.0 1.0
OP1 P:4DG114 2.2 42.9 1.0
C1 E:PPF914 2.8 43.0 1.0
CG E:ASP623 3.0 38.1 1.0
P1 E:PPF914 3.1 45.6 1.0
MG E:MG915 3.2 43.1 0.8
CG E:ASP411 3.3 38.4 1.0
C E:LEU412 3.3 38.0 1.0
OD1 E:ASP623 3.3 38.3 1.0
P P:4DG114 3.5 44.1 1.0
O5' P:4DG114 3.6 42.8 1.0
N E:LEU412 3.8 37.4 1.0
OD1 E:ASP411 3.9 38.8 1.0
CA E:LEU412 4.0 37.3 1.0
O4 E:PPF914 4.0 43.8 1.0
O3 E:PPF914 4.1 43.3 1.0
O2 E:PPF914 4.2 44.6 1.0
CB E:ASP623 4.3 35.3 1.0
O E:HOH998 4.3 41.0 1.0
CB E:LEU412 4.3 37.2 1.0
C E:ASP411 4.4 36.4 1.0
N E:THR413 4.4 38.1 1.0
CB E:ASP411 4.4 36.8 1.0
OP2 P:4DG114 4.4 41.2 1.0
O P:HOH206 4.4 40.2 1.0
C5' P:4DG114 4.6 42.3 1.0
O3' P:DA113 4.6 41.4 1.0
N E:LEU415 4.7 37.6 1.0
N E:SER414 4.7 39.5 1.0
CB E:LEU415 4.7 36.0 1.0
CA E:THR413 4.7 38.2 1.0
O E:ASP623 4.8 35.5 1.0
CA E:ASP411 4.9 36.5 1.0
C E:THR413 4.9 38.3 1.0
O E:ASP411 4.9 37.0 1.0

Magnesium binding site 3 out of 3 in 3kd5

Go back to Magnesium Binding Sites List in 3kd5
Magnesium binding site 3 out of 3 in the Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Closed Ternary Complex of An RB69 GP43 Fingers Domain Mutant Complexed with An Acyclic Gmp Terminated Primer Template Pair and Phosphonoformic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg917

b:58.2
occ:1.00
OD2 E:ASP114 2.2 44.0 1.0
OE2 E:GLU116 2.7 42.6 1.0
O E:HOH1065 2.8 45.6 1.0
OD2 E:ASP327 3.1 43.3 1.0
CG E:ASP114 3.2 42.9 1.0
ND2 E:ASN324 3.4 40.5 1.0
CD E:GLU116 3.9 41.7 1.0
CG E:ASP327 3.9 40.7 1.0
CB E:ASP114 4.0 39.9 1.0
OD1 E:ASP114 4.0 41.3 1.0
CB E:ASP327 4.1 38.8 1.0
O E:ILE115 4.3 38.8 1.0
O E:HOH1113 4.3 42.3 1.0
O E:HOH1115 4.4 43.0 1.0
CG E:ASN324 4.6 38.8 1.0
OE1 E:GLU116 4.6 41.0 1.0
CA E:ASN324 4.7 38.0 1.0
CG E:GLU116 5.0 39.5 1.0
OD1 E:ASP327 5.0 40.6 1.0

Reference:

K.E.Zahn, E.P.Tchesnokov, M.Gotte, S.Doublie. Phosphonoformic Acid Inhibits Viral Replication By Trapping the Closed Form of the Dna Polymerase. J.Biol.Chem. V. 286 25246 2011.
ISSN: ISSN 0021-9258
PubMed: 21566148
DOI: 10.1074/JBC.M111.248864
Page generated: Wed Aug 14 18:02:36 2024

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