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:
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: Sat Oct 5 19:21:48 2024
|