Manganese in PDB 3rh6: Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
Enzymatic activity of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
All present enzymatic activity of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp):
2.7.7.7;
Protein crystallography data
The structure of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp), PDB code: 3rh6
was solved by
N.A.Cavanaugh,
W.A.Beard,
V.K.Batra,
L.Perera,
L.G.Pedersen,
S.H.Wilson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.77 /
2.05
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.060,
79.810,
55.060,
90.00,
107.68,
90.00
|
R / Rfree (%)
|
19.5 /
26.6
|
Other elements in 3rh6:
The structure of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp) also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
(pdb code 3rh6). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the
Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp), PDB code: 3rh6:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
Manganese binding site 1 out
of 6 in 3rh6
Go back to
Manganese Binding Sites List in 3rh6
Manganese binding site 1 out
of 6 in the Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn339
b:22.6
occ:1.00
|
OD1
|
A:ASP190
|
2.1
|
19.5
|
1.0
|
O1G
|
A:CTP338
|
2.2
|
23.5
|
1.0
|
O1A
|
A:CTP338
|
2.2
|
22.9
|
1.0
|
O2B
|
A:CTP338
|
2.2
|
16.9
|
1.0
|
OD2
|
A:ASP192
|
2.2
|
22.7
|
1.0
|
O
|
A:HOH371
|
2.5
|
22.9
|
1.0
|
CG
|
A:ASP192
|
3.1
|
22.8
|
1.0
|
CG
|
A:ASP190
|
3.1
|
24.5
|
1.0
|
PB
|
A:CTP338
|
3.2
|
26.9
|
1.0
|
OD1
|
A:ASP192
|
3.3
|
26.4
|
1.0
|
PG
|
A:CTP338
|
3.4
|
24.7
|
1.0
|
MN
|
A:MN340
|
3.4
|
37.8
|
1.0
|
PA
|
A:CTP338
|
3.4
|
25.0
|
1.0
|
OD2
|
A:ASP190
|
3.6
|
23.7
|
1.0
|
O3B
|
A:CTP338
|
3.6
|
26.9
|
1.0
|
O3A
|
A:CTP338
|
3.7
|
27.8
|
1.0
|
O
|
A:ASP190
|
4.0
|
26.0
|
1.0
|
C5'
|
A:CTP338
|
4.0
|
23.3
|
1.0
|
OG
|
A:SER180
|
4.1
|
25.9
|
1.0
|
C
|
A:ASP190
|
4.2
|
25.5
|
1.0
|
O5'
|
A:CTP338
|
4.2
|
28.4
|
1.0
|
O3G
|
A:CTP338
|
4.3
|
17.9
|
1.0
|
N
|
A:ASP190
|
4.4
|
22.3
|
1.0
|
N
|
A:SER180
|
4.4
|
25.2
|
1.0
|
CB
|
A:ASP190
|
4.4
|
22.9
|
1.0
|
O
|
A:HOH579
|
4.4
|
20.2
|
1.0
|
O2G
|
A:CTP338
|
4.5
|
23.7
|
1.0
|
CB
|
A:ASP192
|
4.5
|
23.0
|
1.0
|
O2A
|
A:CTP338
|
4.5
|
27.2
|
1.0
|
CA
|
A:ASP190
|
4.6
|
18.0
|
1.0
|
O1B
|
A:CTP338
|
4.6
|
24.4
|
1.0
|
CA
|
A:GLY179
|
4.6
|
24.8
|
1.0
|
N
|
A:ASP192
|
4.8
|
18.1
|
1.0
|
N
|
A:MET191
|
4.8
|
17.9
|
1.0
|
O
|
A:HOH592
|
4.8
|
38.9
|
1.0
|
C
|
A:MET191
|
5.0
|
15.4
|
1.0
|
|
Manganese binding site 2 out
of 6 in 3rh6
Go back to
Manganese Binding Sites List in 3rh6
Manganese binding site 2 out
of 6 in the Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn340
b:37.8
occ:1.00
|
OD2
|
A:ASP190
|
2.2
|
23.7
|
1.0
|
OD1
|
A:ASP192
|
2.2
|
26.4
|
1.0
|
O
|
A:HOH592
|
2.5
|
38.9
|
1.0
|
O1A
|
A:CTP338
|
2.6
|
22.9
|
1.0
|
OD2
|
A:ASP256
|
2.7
|
31.9
|
1.0
|
CG
|
A:ASP190
|
2.9
|
24.5
|
1.0
|
OD1
|
A:ASP190
|
3.0
|
19.5
|
1.0
|
CG
|
A:ASP192
|
3.3
|
22.8
|
1.0
|
MN
|
A:MN339
|
3.4
|
22.6
|
1.0
|
PA
|
A:CTP338
|
3.7
|
25.0
|
1.0
|
OD2
|
A:ASP192
|
3.7
|
22.7
|
1.0
|
CG
|
A:ASP256
|
3.8
|
28.6
|
1.0
|
O5'
|
A:CTP338
|
3.9
|
28.4
|
1.0
|
C5'
|
A:CTP338
|
4.0
|
23.3
|
1.0
|
C3'
|
P:DDG10
|
4.1
|
35.0
|
1.0
|
O2A
|
A:CTP338
|
4.2
|
27.2
|
1.0
|
CB
|
A:ASP190
|
4.3
|
22.9
|
1.0
|
C5'
|
P:DDG10
|
4.4
|
32.4
|
1.0
|
CB
|
A:ASP256
|
4.5
|
28.2
|
1.0
|
CB
|
A:ASP192
|
4.5
|
23.0
|
1.0
|
C4'
|
P:DDG10
|
4.5
|
34.7
|
1.0
|
O
|
A:HOH513
|
4.6
|
33.1
|
1.0
|
OD1
|
A:ASP256
|
4.6
|
26.4
|
1.0
|
O
|
A:MET191
|
4.6
|
22.4
|
1.0
|
OP1
|
P:DDG10
|
4.7
|
39.9
|
1.0
|
O5'
|
P:DDG10
|
4.8
|
32.5
|
1.0
|
O1G
|
A:CTP338
|
4.8
|
23.5
|
1.0
|
C
|
A:MET191
|
4.9
|
15.4
|
1.0
|
NH2
|
A:ARG254
|
5.0
|
22.4
|
1.0
|
CA
|
A:ASP192
|
5.0
|
19.2
|
1.0
|
|
Manganese binding site 3 out
of 6 in 3rh6
Go back to
Manganese Binding Sites List in 3rh6
Manganese binding site 3 out
of 6 in the Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn341
b:47.0
occ:1.00
|
OD2
|
A:ASP145
|
2.5
|
29.3
|
1.0
|
O
|
A:HOH397
|
2.5
|
34.8
|
1.0
|
ND1
|
A:HIS252
|
2.6
|
32.0
|
1.0
|
O
|
A:HOH374
|
2.7
|
32.2
|
1.0
|
CG
|
A:ASP145
|
3.3
|
33.8
|
1.0
|
CE1
|
A:HIS252
|
3.3
|
34.8
|
1.0
|
OD1
|
A:ASP145
|
3.5
|
31.2
|
1.0
|
CG
|
A:HIS252
|
3.7
|
34.0
|
1.0
|
O
|
A:HOH480
|
3.8
|
43.1
|
1.0
|
N
|
A:HIS252
|
4.1
|
24.1
|
1.0
|
CB
|
A:HIS252
|
4.1
|
24.3
|
1.0
|
CD1
|
A:TYR142
|
4.2
|
25.6
|
1.0
|
CE1
|
A:TYR142
|
4.4
|
27.8
|
1.0
|
NE2
|
A:HIS252
|
4.5
|
33.2
|
1.0
|
CB
|
A:ASP145
|
4.6
|
20.9
|
1.0
|
O
|
A:HOH510
|
4.6
|
38.9
|
1.0
|
CD2
|
A:HIS252
|
4.7
|
22.4
|
1.0
|
CA
|
A:HIS252
|
4.7
|
25.0
|
1.0
|
O
|
A:TYR250
|
5.0
|
23.8
|
1.0
|
C
|
A:PRO251
|
5.0
|
27.0
|
1.0
|
|
Manganese binding site 4 out
of 6 in 3rh6
Go back to
Manganese Binding Sites List in 3rh6
Manganese binding site 4 out
of 6 in the Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn342
b:68.4
occ:0.92
|
O
|
A:HOH426
|
2.4
|
38.2
|
1.0
|
O2G
|
A:CTP338
|
3.1
|
23.7
|
1.0
|
O
|
A:HOH513
|
3.7
|
33.1
|
1.0
|
O1G
|
A:CTP338
|
4.0
|
23.5
|
1.0
|
OD2
|
A:ASP190
|
4.1
|
23.7
|
1.0
|
PG
|
A:CTP338
|
4.2
|
24.7
|
1.0
|
CA
|
A:GLY189
|
4.3
|
18.4
|
1.0
|
O2A
|
A:CTP338
|
4.3
|
27.2
|
1.0
|
C
|
A:GLY189
|
4.4
|
27.8
|
1.0
|
CG
|
A:ASP190
|
4.5
|
24.5
|
1.0
|
O
|
A:HOH592
|
4.5
|
38.9
|
1.0
|
O
|
A:GLY189
|
4.6
|
24.9
|
1.0
|
O1A
|
A:CTP338
|
4.7
|
22.9
|
1.0
|
O3B
|
A:CTP338
|
4.8
|
26.9
|
1.0
|
N
|
A:ASP190
|
4.9
|
22.3
|
1.0
|
CB
|
A:ASP190
|
4.9
|
22.9
|
1.0
|
|
Manganese binding site 5 out
of 6 in 3rh6
Go back to
Manganese Binding Sites List in 3rh6
Manganese binding site 5 out
of 6 in the Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Mn344
b:57.6
occ:0.72
|
O
|
T:HOH259
|
2.2
|
37.7
|
1.0
|
O
|
T:HOH186
|
3.9
|
42.9
|
1.0
|
O
|
A:HOH479
|
4.1
|
35.5
|
1.0
|
O4'
|
T:DC5
|
4.2
|
32.9
|
1.0
|
C4'
|
T:DC5
|
4.3
|
36.8
|
1.0
|
C5'
|
T:DC5
|
4.4
|
38.9
|
1.0
|
N3
|
T:DA4
|
4.4
|
29.9
|
1.0
|
C2
|
T:DA4
|
4.9
|
29.0
|
1.0
|
|
Manganese binding site 6 out
of 6 in 3rh6
Go back to
Manganese Binding Sites List in 3rh6
Manganese binding site 6 out
of 6 in the Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Dna Polymerase Beta Mutant (Y271) with A Dideoxy-Terminated Primer with An Incoming Ribonucleotide (Rctp) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn343
b:81.3
occ:0.90
|
N7
|
D:DG4
|
2.6
|
36.0
|
1.0
|
C8
|
D:DG4
|
3.4
|
35.6
|
1.0
|
C2'
|
D:DC3
|
3.6
|
42.7
|
1.0
|
C5
|
D:DG4
|
3.7
|
34.9
|
1.0
|
O6
|
D:DG4
|
3.9
|
37.6
|
1.0
|
O6
|
D:DG5
|
4.0
|
42.1
|
1.0
|
OP2
|
D:DG4
|
4.0
|
39.6
|
1.0
|
C6
|
D:DG4
|
4.2
|
31.8
|
1.0
|
C6
|
D:DC3
|
4.2
|
33.8
|
1.0
|
N1
|
D:DC3
|
4.6
|
40.6
|
1.0
|
C1'
|
D:DC3
|
4.7
|
45.2
|
1.0
|
N9
|
D:DG4
|
4.7
|
35.1
|
1.0
|
C3'
|
D:DC3
|
4.7
|
45.8
|
1.0
|
C5
|
D:DC3
|
4.8
|
35.4
|
1.0
|
C6
|
D:DG5
|
4.8
|
36.9
|
1.0
|
N7
|
D:DG5
|
4.8
|
44.1
|
1.0
|
C4
|
D:DG4
|
4.8
|
38.6
|
1.0
|
|
Reference:
N.A.Cavanaugh,
W.A.Beard,
V.K.Batra,
L.Perera,
L.G.Pedersen,
S.H.Wilson.
Molecular Insights Into Dna Polymerase Deterrents For Ribonucleotide Insertion. J.Biol.Chem. V. 286 31650 2011.
ISSN: ISSN 0021-9258
PubMed: 21733843
DOI: 10.1074/JBC.M111.253401
Page generated: Sat Oct 5 17:45:36 2024
|