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Magnesium in PDB 3m8s: Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp

Enzymatic activity of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp

All present enzymatic activity of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp:
2.7.7.7;

Protein crystallography data

The structure of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp, PDB code: 3m8s was solved by K.Diederichs, A.Marx, K.Betz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.09 / 2.20
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.742, 108.742, 90.755, 90.00, 90.00, 120.00
R / Rfree (%) 17 / 22.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp (pdb code 3m8s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp, PDB code: 3m8s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3m8s

Go back to Magnesium Binding Sites List in 3m8s
Magnesium binding site 1 out of 2 in the Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1

b:34.3
occ:1.00
OD1 A:ASP785 2.1 26.6 1.0
O A:HOH840 2.4 33.1 1.0
OD2 A:ASP610 2.4 40.6 1.0
O10 A:HXB113 2.5 28.9 1.0
O A:HOH68 2.6 34.3 1.0
CG A:ASP785 3.1 32.8 1.0
CG A:ASP610 3.1 47.5 1.0
OD1 A:ASP610 3.2 32.4 1.0
C3' B:DOC112 3.4 28.2 1.0
OD2 A:ASP785 3.4 27.3 1.0
P1 A:HXB113 3.5 33.7 1.0
MG A:MG2 3.6 28.2 1.0
O11 A:HXB113 3.8 26.1 1.0
O5' A:HXB113 3.9 30.4 1.0
O A:HOH36 4.0 33.4 1.0
CB A:GLU786 4.1 23.4 1.0
C5' A:HXB113 4.1 29.0 1.0
C4' B:DOC112 4.2 33.1 1.0
OE1 A:GLU786 4.2 41.0 1.0
C5' B:DOC112 4.2 30.3 1.0
O A:VAL783 4.4 22.5 1.0
CB A:ASP785 4.4 24.5 1.0
C A:ASP785 4.5 31.4 1.0
NZ A:LYS831 4.5 47.8 1.0
CB A:ASP610 4.5 38.4 1.0
N A:GLU786 4.5 24.9 1.0
O6 A:HXB113 4.6 33.0 1.0
C2' B:DOC112 4.6 29.2 1.0
O A:ASP785 4.7 28.2 1.0
N A:ASP785 4.8 28.7 1.0
CA A:ASP785 4.8 25.0 1.0
CA A:GLU786 4.9 25.3 1.0
O9 A:HXB113 4.9 31.6 1.0
O1 A:HXB113 5.0 35.1 1.0

Magnesium binding site 2 out of 2 in 3m8s

Go back to Magnesium Binding Sites List in 3m8s
Magnesium binding site 2 out of 2 in the Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with Trapped 4'- Methylated Dttp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2

b:28.2
occ:1.00
O6 A:HXB113 1.8 33.0 1.0
O A:TYR611 2.0 34.0 1.0
OD1 A:ASP610 2.1 32.4 1.0
OD2 A:ASP785 2.1 27.3 1.0
O10 A:HXB113 2.1 28.9 1.0
O9 A:HXB113 2.1 31.6 1.0
CG A:ASP785 3.1 32.8 1.0
CG A:ASP610 3.2 47.5 1.0
C A:TYR611 3.2 30.6 1.0
P3 A:HXB113 3.2 39.6 1.0
P2 A:HXB113 3.2 31.8 1.0
P1 A:HXB113 3.4 33.7 1.0
OD1 A:ASP785 3.5 26.6 1.0
MG A:MG1 3.6 34.3 1.0
O3 A:HXB113 3.6 48.2 1.0
O A:HOH111 3.6 26.1 1.0
OD2 A:ASP610 3.7 40.6 1.0
O1 A:HXB113 3.7 35.1 1.0
N A:TYR611 4.0 24.5 1.0
O A:HOH36 4.0 33.4 1.0
CA A:TYR611 4.1 28.1 1.0
O5 A:HXB113 4.1 37.5 1.0
C5' A:HXB113 4.2 29.0 1.0
N A:SER612 4.2 30.1 1.0
C A:ASP610 4.2 27.4 1.0
O7 A:HXB113 4.2 50.2 1.0
O5' A:HXB113 4.3 30.4 1.0
N A:GLN613 4.3 29.9 1.0
CA A:SER612 4.3 42.9 1.0
CB A:ASP610 4.4 38.4 1.0
CB A:ASP785 4.4 24.5 1.0
O11 A:HXB113 4.5 26.1 1.0
O8 A:HXB113 4.6 35.5 1.0
CB A:TYR611 4.6 24.9 1.0
C A:SER612 4.6 40.1 1.0
O A:ASP610 4.6 34.6 1.0
CA A:ASP610 4.8 29.2 1.0
O A:ASP785 4.8 28.2 1.0
N A:ILE614 4.9 26.0 1.0

Reference:

K.Betz, F.Streckenbach, A.Schnur, T.Exner, W.Welte, K.Diederichs, A.Marx. Structures of Dna Polymerases Caught Processing Size-Augmented Nucleotide Probes. Angew.Chem.Int.Ed.Engl. V. 49 5181 2010.
ISSN: ISSN 1433-7851
PubMed: 20572212
DOI: 10.1002/ANIE.200905724
Page generated: Mon Aug 11 00:30:27 2025

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