Magnesium in PDB 6p1n: Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp

Enzymatic activity of Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp

All present enzymatic activity of Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp:
2.7.7.7;

Protein crystallography data

The structure of Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp, PDB code: 6p1n was solved by A.M.Kaminski, L.C.Pedersen, K.Bebenek, K.K.Chiruvella, D.A.Ramsden, T.A.Kunkel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.66 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.926, 68.772, 110.609, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 18.7

Other elements in 6p1n:

The structure of Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Sodium (Na) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp (pdb code 6p1n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp, PDB code: 6p1n:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6p1n

Go back to Magnesium Binding Sites List in 6p1n
Magnesium binding site 1 out of 2 in the Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:16.0
occ:1.00
OD2 A:ASP330 2.0 19.6 1.0
OD2 A:ASP418 2.0 21.2 1.0
OD1 A:ASP332 2.1 18.7 1.0
O P:HOH102 2.1 21.4 1.0
O3' P:DA4 2.2 19.4 1.0
O2A A:DZ4501 2.3 17.7 1.0
CG A:ASP330 3.0 19.5 1.0
CG A:ASP332 3.1 16.8 1.0
CG A:ASP418 3.2 19.7 1.0
C3' P:DA4 3.3 22.8 1.0
PA A:DZ4501 3.4 17.9 1.0
OD1 A:ASP330 3.4 17.1 1.0
OD2 A:ASP332 3.4 17.4 1.0
MG A:MG503 3.6 16.8 1.0
O5' A:DZ4501 3.7 17.0 1.0
O1A A:DZ4501 3.7 19.5 1.0
CB A:ASP418 3.8 17.2 1.0
C4' P:DA4 3.9 22.8 1.0
C5' P:DA4 3.9 23.5 1.0
C5' A:DZ4501 4.0 18.3 1.0
CE1 A:HIS329 4.1 19.9 0.9
OD1 A:ASP418 4.2 19.8 1.0
CB A:ASP330 4.3 17.1 1.0
CB A:ASP332 4.4 15.4 1.0
OP1 P:DA4 4.5 26.1 1.0
O5' P:DA4 4.5 30.7 1.0
NH2 A:ARG416 4.6 22.6 1.0
C2' P:DA4 4.7 23.2 1.0
CZ3 A:TRP434 4.7 25.5 1.0
O2G A:DZ4501 4.8 19.3 1.0
ND1 A:HIS329 4.8 18.5 0.6
N3A A:DZ4501 4.9 17.4 1.0
O2B A:DZ4501 5.0 16.7 1.0

Magnesium binding site 2 out of 2 in 6p1n

Go back to Magnesium Binding Sites List in 6p1n
Magnesium binding site 2 out of 2 in the Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pre-Catalytic Ternary Complex of Human Dna Polymerase Mu with 1-Nt Gapped Substrate Containing Template 8OG and Bound Incoming Dampnpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:16.8
occ:1.00
OD2 A:ASP332 2.0 17.4 1.0
OD1 A:ASP330 2.0 17.1 1.0
O2B A:DZ4501 2.1 16.7 1.0
O A:HOH712 2.1 18.4 1.0
O2A A:DZ4501 2.1 17.7 1.0
O2G A:DZ4501 2.2 19.3 1.0
CG A:ASP332 3.0 16.8 1.0
CG A:ASP330 3.1 19.5 1.0
PB A:DZ4501 3.1 18.0 1.0
PA A:DZ4501 3.3 17.9 1.0
PG A:DZ4501 3.4 19.0 1.0
OD1 A:ASP332 3.5 18.7 1.0
OD2 A:ASP330 3.5 19.6 1.0
N3A A:DZ4501 3.5 17.4 1.0
MG A:MG502 3.6 16.0 1.0
O3B A:DZ4501 3.6 17.1 1.0
O A:ASP330 4.0 18.6 1.0
ND1 A:HIS329 4.1 18.5 0.6
C5' A:DZ4501 4.1 18.3 1.0
O3G A:DZ4501 4.2 21.5 1.0
O A:HOH672 4.2 21.7 1.0
O A:HOH617 4.2 18.1 1.0
C A:ASP330 4.2 16.9 1.0
O5' A:DZ4501 4.3 17.0 1.0
N A:GLY320 4.3 14.5 1.0
CB A:ASP330 4.4 17.1 1.0
CB A:ASP332 4.4 15.4 1.0
CE1 A:HIS329 4.4 19.9 0.9
O1A A:DZ4501 4.5 19.5 1.0
N A:ASP330 4.5 18.4 1.0
O1B A:DZ4501 4.5 17.5 1.0
O1G A:DZ4501 4.5 21.1 1.0
CA A:GLY319 4.6 16.6 1.0
CA A:ASP330 4.6 18.6 1.0
O P:HOH102 4.7 21.4 1.0
N A:ASP332 4.7 16.7 1.0
N A:VAL331 4.8 17.4 1.0
C A:VAL331 5.0 16.3 1.0

Reference:

A.M.Kaminski, K.K.Chiruvella, D.A.Ramsden, T.A.Kunkel, K.Bebenek, L.C.Pedersen. Unexpected Behavior of Dna Polymerase Mu Opposite Template 8-Oxo-7,8-Dihydro-2'-Guanosine. Nucleic Acids Res. V. 47 9410 2019.
ISSN: ESSN 1362-4962
PubMed: 31435651
DOI: 10.1093/NAR/GKZ680
Page generated: Mon Dec 14 23:45:35 2020

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