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Manganese in PDB 4dqr: Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+

Enzymatic activity of Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+

All present enzymatic activity of Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+, PDB code: 4dqr was solved by W.Wang, L.S.Beese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.79 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93.897, 108.846, 149.771, 90.00, 90.00, 90.00
R / Rfree (%) 16.6 / 19.8

Manganese Binding Sites:

The binding sites of Manganese atom in the Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+ (pdb code 4dqr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+, PDB code: 4dqr:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 4dqr

Go back to Manganese Binding Sites List in 4dqr
Manganese binding site 1 out of 2 in the Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn902

b:59.9
occ:1.00
O2A A:CTP901 2.1 33.0 1.0
O A:HOH1103 2.2 49.5 1.0
OD2 A:ASP830 2.3 51.4 1.0
O2G A:CTP901 2.5 66.0 1.0
O2B A:CTP901 2.7 44.0 1.0
CG A:ASP830 3.3 45.8 1.0
O A:TYR654 3.4 47.4 1.0
PG A:CTP901 3.4 59.3 1.0
PA A:CTP901 3.4 35.5 1.0
PB A:CTP901 3.5 46.0 1.0
OD2 A:ASP653 3.6 73.3 1.0
OD1 A:ASP830 3.6 41.5 1.0
HB2 A:ASP653 3.6 58.2 1.0
O3G A:CTP901 3.7 64.8 1.0
O3B A:CTP901 3.7 44.3 1.0
O3A A:CTP901 3.8 41.2 1.0
H A:GLN656 3.9 54.5 1.0
H5'2 A:CTP901 4.0 47.6 1.0
O1A A:CTP901 4.3 39.6 1.0
HA A:SER655 4.3 63.8 1.0
O5' A:CTP901 4.4 44.5 1.0
CB A:ASP653 4.5 48.5 1.0
CG A:ASP653 4.5 65.9 1.0
C5' A:CTP901 4.5 39.7 1.0
H5'1 A:CTP901 4.5 47.6 1.0
C A:TYR654 4.5 46.7 1.0
CB A:ASP830 4.6 41.4 1.0
HB2 A:ASP830 4.7 49.7 1.0
O1G A:CTP901 4.7 59.2 1.0
HG2 A:GLU831 4.7 70.3 1.0
N A:GLN656 4.8 45.5 1.0
O1B A:CTP901 4.8 51.7 1.0
HB3 A:ASP653 5.0 58.2 1.0

Manganese binding site 2 out of 2 in 4dqr

Go back to Manganese Binding Sites List in 4dqr
Manganese binding site 2 out of 2 in the Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Ternary Complex of Bacillus Dna Polymerase I Large Fragment E658A, Dna Duplex, and Rctp (Paired with Dg of Template) in Presence of MN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn902

b:30.4
occ:1.00
O D:HOH1418 1.8 21.8 1.0
O2A D:CTP901 2.1 17.8 1.0
OD2 D:ASP830 2.3 18.1 1.0
O D:HOH1090 2.4 26.9 1.0
O2B D:CTP901 2.5 19.5 1.0
O2G D:CTP901 2.5 31.7 1.0
PA D:CTP901 3.3 23.5 1.0
CG D:ASP830 3.3 23.0 1.0
O D:HOH1158 3.3 26.1 1.0
O D:HOH1015 3.4 18.4 1.0
PB D:CTP901 3.4 21.6 1.0
O D:HOH1314 3.5 34.1 1.0
PG D:CTP901 3.6 31.5 1.0
O3A D:CTP901 3.6 21.0 1.0
O3B D:CTP901 3.7 22.0 1.0
OD1 D:ASP830 3.7 21.5 1.0
H5'2 D:CTP901 3.8 23.4 1.0
O D:TYR654 3.9 30.2 1.0
H D:GLN656 4.0 23.6 1.0
OD2 D:ASP653 4.2 45.0 1.0
O5' D:CTP901 4.2 22.0 1.0
O1A D:CTP901 4.2 24.1 1.0
C5' D:CTP901 4.4 19.5 1.0
HB2 D:ASP653 4.4 33.2 1.0
H5'1 D:CTP901 4.4 23.4 1.0
O3G D:CTP901 4.5 27.2 1.0
HA D:SER655 4.6 23.7 1.0
CB D:ASP830 4.6 16.5 1.0
HB2 D:ASP830 4.7 19.8 1.0
O1G D:CTP901 4.7 27.5 1.0
O1B D:CTP901 4.8 23.7 1.0
N D:GLN656 4.9 19.7 1.0
HB3 D:ASP830 4.9 19.8 1.0

Reference:

W.Wang, E.Y.Wu, H.W.Hellinga, L.S.Beese. Structural Factors That Determine Selectivity of A High Fidelity Dna Polymerase For Deoxy-, Dideoxy-, and Ribonucleotides. J.Biol.Chem. V. 287 28215 2012.
ISSN: ISSN 0021-9258
PubMed: 22648417
DOI: 10.1074/JBC.M112.366609
Page generated: Sat Oct 5 19:05:01 2024

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