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Manganese in PDB 4f5r: Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit

Enzymatic activity of Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit

All present enzymatic activity of Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit:
2.7.7.7;

Protein crystallography data

The structure of Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit, PDB code: 4f5r was solved by B.D.Freudenthal, W.A.Beard, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.36 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.028, 79.446, 102.090, 90.00, 96.96, 90.00
R / Rfree (%) 21 / 27.8

Other elements in 4f5r:

The structure of Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Sodium (Na) 4 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit (pdb code 4f5r). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit, PDB code: 4f5r:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 4f5r

Go back to Manganese Binding Sites List in 4f5r
Manganese binding site 1 out of 4 in the Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:27.9
occ:1.00
OD2 B:ASP256 2.0 31.0 1.0
OD1 B:ASP192 2.1 23.3 1.0
OD2 B:ASP190 2.1 32.1 1.0
O B:HOH562 2.2 23.4 1.0
O1A B:6CF404 2.2 27.2 1.0
O3' G:DC10 2.3 26.8 1.0
CG B:ASP190 3.0 27.1 1.0
CG B:ASP192 3.1 28.2 1.0
OD1 B:ASP190 3.2 28.1 1.0
CG B:ASP256 3.2 33.9 1.0
P1 B:6CF404 3.3 37.9 1.0
OD2 B:ASP192 3.4 26.4 1.0
C3' G:DC10 3.5 31.1 1.0
O2A B:6CF404 3.5 28.6 1.0
MN B:MN402 3.6 29.6 1.0
CB B:ASP256 3.9 29.7 1.0
O5' B:6CF404 3.9 34.0 1.0
C5' B:6CF404 4.1 27.0 1.0
C4' G:DC10 4.1 30.4 1.0
OD1 B:ASP256 4.2 29.0 1.0
C5' G:DC10 4.3 25.5 1.0
CB B:ASP192 4.4 25.2 1.0
CB B:ASP190 4.5 27.6 1.0
OP1 G:DC10 4.7 32.2 1.0
C2' G:DC10 4.7 33.9 1.0
O5' G:DC10 4.7 28.2 1.0
O2B B:6CF404 4.8 30.5 1.0
C3A B:6CF404 4.9 34.8 1.0
CA B:ASP192 5.0 25.5 1.0

Manganese binding site 2 out of 4 in 4f5r

Go back to Manganese Binding Sites List in 4f5r
Manganese binding site 2 out of 4 in the Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn402

b:29.6
occ:1.00
O2B B:6CF404 2.0 30.5 1.0
OD1 B:ASP190 2.0 28.1 1.0
O3G B:6CF404 2.1 28.6 1.0
OD2 B:ASP192 2.1 26.4 1.0
O B:HOH618 2.2 30.7 1.0
O1A B:6CF404 2.2 27.2 1.0
P2 B:6CF404 3.1 29.6 1.0
CG B:ASP190 3.1 27.1 1.0
CG B:ASP192 3.2 28.2 1.0
P3 B:6CF404 3.3 36.8 1.0
P1 B:6CF404 3.4 37.9 1.0
OD1 B:ASP192 3.6 23.3 1.0
O3B B:6CF404 3.6 41.2 1.0
MN B:MN401 3.6 27.9 1.0
C3A B:6CF404 3.6 34.8 1.0
OD2 B:ASP190 3.7 32.1 1.0
F2A B:6CF404 3.9 35.4 1.0
O B:ASP190 4.1 35.7 1.0
C5' B:6CF404 4.2 27.0 1.0
N B:ASP190 4.2 29.6 1.0
O2G B:6CF404 4.2 35.8 1.0
C B:ASP190 4.2 27.4 1.0
O5' B:6CF404 4.3 34.0 1.0
O1G B:6CF404 4.3 35.7 1.0
CB B:ASP190 4.4 27.6 1.0
O B:HOH564 4.4 27.3 1.0
O1B B:6CF404 4.4 38.6 1.0
CB B:ASP192 4.5 25.2 1.0
CA B:ASP190 4.5 24.7 1.0
N B:SER180 4.5 30.4 1.0
CA B:GLY179 4.5 25.9 1.0
O2A B:6CF404 4.6 28.6 1.0
O B:HOH562 4.6 23.4 1.0
N B:ASP192 4.7 26.5 1.0
N B:MET191 4.9 26.8 1.0
OG B:SER180 4.9 34.7 1.0
F1A B:6CF404 4.9 31.1 1.0

Manganese binding site 3 out of 4 in 4f5r

Go back to Manganese Binding Sites List in 4f5r
Manganese binding site 3 out of 4 in the Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn101

b:36.6
occ:1.00
O D:HOH202 2.2 39.3 1.0
O D:HOH216 2.2 33.8 1.0
O D:HOH208 2.2 38.2 1.0
O D:HOH214 2.2 27.4 1.0
O D:HOH215 2.2 32.4 1.0
N7 D:DG4 2.3 29.9 1.0
C8 D:DG4 3.1 34.4 1.0
C5 D:DG4 3.4 25.2 1.0
O6 D:DG4 3.7 29.1 1.0
C6 D:DG4 3.9 23.6 1.0
O6 D:DG5 4.3 29.5 1.0
N9 D:DG4 4.4 31.5 1.0
C4 D:DG4 4.5 27.8 1.0
OP2 D:DG4 4.5 35.0 1.0
C2' D:DC3 4.8 31.0 1.0
O D:HOH201 4.8 31.2 1.0
N4 T:DC1 4.9 31.9 1.0
C6 D:DC3 5.0 21.4 1.0

Manganese binding site 4 out of 4 in 4f5r

Go back to Manganese Binding Sites List in 4f5r
Manganese binding site 4 out of 4 in the Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Open and Closed Ternary Complex of R283K Dna Polymerase Beta with A Dctp Analog in the Same Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Mn101

b:39.9
occ:1.00
O T:HOH234 2.2 41.6 1.0
O T:HOH235 2.2 40.6 1.0
O T:HOH233 2.2 44.4 1.0
O T:HOH213 2.2 37.6 1.0
O T:HOH225 2.3 34.4 1.0
N7 T:DG3 2.5 26.9 1.0
C8 T:DG3 3.3 28.4 1.0
C5 T:DG3 3.6 26.6 1.0
O T:HOH220 3.9 30.1 1.0
O6 T:DG3 4.0 28.3 1.0
O T:HOH217 4.1 40.8 1.0
C6 T:DG3 4.2 24.1 1.0
OP2 T:DG3 4.3 35.2 1.0
N9 T:DG3 4.6 26.4 1.0
N6 T:DA4 4.6 23.3 1.0
C4 T:DG3 4.7 22.2 1.0
C2' T:DC2 4.8 31.7 1.0
C6 T:DC2 5.0 26.7 1.0

Reference:

B.D.Freudenthal, W.A.Beard, S.H.Wilson. Structures of Dntp Intermediate States During Dna Polymerase Active Site Assembly. Structure V. 20 1829 2012.
ISSN: ISSN 0969-2126
PubMed: 22959623
DOI: 10.1016/J.STR.2012.08.008
Page generated: Tue Dec 15 04:20:28 2020

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