Manganese in PDB 5tyy: Dna Polymerase Mu Product Complex, MN2+ (60 Min)
Enzymatic activity of Dna Polymerase Mu Product Complex, MN2+ (60 Min)
All present enzymatic activity of Dna Polymerase Mu Product Complex, MN2+ (60 Min):
2.7.7.7;
Protein crystallography data
The structure of Dna Polymerase Mu Product Complex, MN2+ (60 Min), PDB code: 5tyy
was solved by
J.A.Jamsen,
S.H.Wilson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
25.08 /
1.93
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
59.985,
68.670,
110.181,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.6 /
21.8
|
Other elements in 5tyy:
The structure of Dna Polymerase Mu Product Complex, MN2+ (60 Min) also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Dna Polymerase Mu Product Complex, MN2+ (60 Min)
(pdb code 5tyy). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 7 binding sites of Manganese where determined in the
Dna Polymerase Mu Product Complex, MN2+ (60 Min), PDB code: 5tyy:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
Manganese binding site 1 out
of 7 in 5tyy
Go back to
Manganese Binding Sites List in 5tyy
Manganese binding site 1 out
of 7 in the Dna Polymerase Mu Product Complex, MN2+ (60 Min)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Dna Polymerase Mu Product Complex, MN2+ (60 Min) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn501
b:17.4
occ:1.00
|
O
|
A:HOH722
|
2.1
|
18.4
|
1.0
|
OD2
|
A:ASP332
|
2.1
|
16.9
|
1.0
|
O12
|
A:PPV507
|
2.1
|
20.6
|
1.0
|
OP1
|
P:DT5
|
2.1
|
19.8
|
1.0
|
OD1
|
A:ASP330
|
2.2
|
20.2
|
1.0
|
O31
|
A:PPV507
|
2.3
|
24.8
|
0.7
|
CG
|
A:ASP332
|
3.1
|
18.6
|
1.0
|
P2
|
A:PPV507
|
3.2
|
25.0
|
1.0
|
CG
|
A:ASP330
|
3.3
|
23.5
|
1.0
|
O32
|
A:PPV507
|
3.4
|
29.6
|
1.0
|
MN
|
A:MN502
|
3.4
|
21.6
|
1.0
|
P1
|
A:PPV507
|
3.4
|
43.6
|
0.7
|
OD1
|
A:ASP332
|
3.5
|
17.4
|
1.0
|
P
|
P:DT5
|
3.5
|
21.7
|
1.0
|
OPP
|
A:PPV507
|
3.7
|
30.1
|
0.7
|
OD2
|
A:ASP330
|
3.8
|
24.6
|
1.0
|
O5'
|
P:DT5
|
4.1
|
18.0
|
1.0
|
C5'
|
P:DT5
|
4.1
|
17.4
|
1.0
|
O11
|
A:PPV507
|
4.1
|
32.6
|
0.7
|
O
|
A:HOH760
|
4.1
|
28.2
|
0.4
|
O
|
A:ASP330
|
4.2
|
18.0
|
1.0
|
N
|
A:GLY320
|
4.4
|
17.8
|
1.0
|
O
|
A:HOH602
|
4.4
|
29.9
|
1.0
|
OP2
|
P:DT5
|
4.4
|
21.7
|
1.0
|
O
|
A:HOH610
|
4.4
|
20.0
|
1.0
|
CB
|
A:ASP332
|
4.4
|
14.5
|
1.0
|
O
|
P:HOH204
|
4.5
|
19.6
|
1.0
|
C
|
A:ASP330
|
4.5
|
19.2
|
1.0
|
O22
|
A:PPV507
|
4.5
|
21.2
|
1.0
|
MN
|
P:MN101
|
4.5
|
33.3
|
0.4
|
O21
|
A:PPV507
|
4.5
|
37.3
|
0.7
|
CA
|
A:GLY319
|
4.5
|
15.6
|
1.0
|
CB
|
A:ASP330
|
4.6
|
18.6
|
1.0
|
O3'
|
P:DA4
|
4.6
|
21.9
|
1.0
|
CA
|
A:ASP330
|
4.9
|
20.7
|
1.0
|
N
|
A:ASP330
|
4.9
|
19.9
|
1.0
|
N
|
A:ASP332
|
4.9
|
15.4
|
1.0
|
|
Manganese binding site 2 out
of 7 in 5tyy
Go back to
Manganese Binding Sites List in 5tyy
Manganese binding site 2 out
of 7 in the Dna Polymerase Mu Product Complex, MN2+ (60 Min)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Dna Polymerase Mu Product Complex, MN2+ (60 Min) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn502
b:21.6
occ:1.00
|
OD2
|
A:ASP330
|
1.9
|
24.6
|
1.0
|
OD1
|
A:ASP332
|
2.1
|
17.4
|
1.0
|
OD2
|
A:ASP418
|
2.1
|
17.7
|
1.0
|
OP1
|
P:DT5
|
2.2
|
19.8
|
1.0
|
O
|
P:HOH204
|
2.4
|
19.6
|
1.0
|
O3'
|
P:DA4
|
2.7
|
21.9
|
1.0
|
CG
|
A:ASP330
|
2.8
|
23.5
|
1.0
|
OD1
|
A:ASP330
|
2.9
|
20.2
|
1.0
|
P
|
P:DT5
|
3.0
|
21.7
|
1.0
|
CG
|
A:ASP332
|
3.1
|
18.6
|
1.0
|
CG
|
A:ASP418
|
3.1
|
19.2
|
1.0
|
MN
|
A:MN501
|
3.4
|
17.4
|
1.0
|
OD2
|
A:ASP332
|
3.4
|
16.9
|
1.0
|
CB
|
A:ASP418
|
3.8
|
18.0
|
1.0
|
C3'
|
P:DA4
|
3.9
|
17.7
|
1.0
|
OP2
|
P:DT5
|
4.0
|
21.7
|
1.0
|
OD1
|
A:ASP418
|
4.0
|
19.2
|
1.0
|
C5'
|
P:DA4
|
4.1
|
19.7
|
1.0
|
C4'
|
P:DA4
|
4.1
|
17.8
|
1.0
|
CB
|
A:ASP330
|
4.2
|
18.6
|
1.0
|
O5'
|
P:DT5
|
4.3
|
18.0
|
1.0
|
CB
|
A:ASP332
|
4.4
|
14.5
|
1.0
|
O
|
A:HOH760
|
4.4
|
28.2
|
0.4
|
C5'
|
P:DT5
|
4.5
|
17.4
|
1.0
|
NH2
|
A:ARG416
|
4.5
|
19.0
|
1.0
|
OP1
|
P:DA4
|
4.7
|
17.9
|
1.0
|
CZ3
|
A:TRP434
|
4.7
|
17.6
|
1.0
|
O31
|
A:PPV507
|
4.8
|
24.8
|
0.7
|
O
|
A:VAL331
|
4.8
|
18.1
|
1.0
|
O5'
|
P:DA4
|
4.9
|
20.4
|
1.0
|
CA
|
A:ASP332
|
4.9
|
15.7
|
1.0
|
N
|
A:ASP418
|
4.9
|
16.9
|
1.0
|
CA
|
A:ASP418
|
5.0
|
17.1
|
1.0
|
C
|
A:VAL331
|
5.0
|
17.0
|
1.0
|
|
Manganese binding site 3 out
of 7 in 5tyy
Go back to
Manganese Binding Sites List in 5tyy
Manganese binding site 3 out
of 7 in the Dna Polymerase Mu Product Complex, MN2+ (60 Min)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Dna Polymerase Mu Product Complex, MN2+ (60 Min) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn503
b:79.1
occ:1.00
|
NE2
|
A:HIS219
|
2.3
|
57.0
|
1.0
|
OE1
|
A:GLU218
|
2.9
|
68.3
|
1.0
|
CE1
|
A:HIS219
|
3.1
|
54.5
|
1.0
|
CD2
|
A:HIS219
|
3.4
|
48.9
|
1.0
|
CD
|
A:GLU218
|
4.1
|
68.2
|
1.0
|
ND1
|
A:HIS219
|
4.3
|
49.9
|
1.0
|
CG
|
A:HIS219
|
4.4
|
46.4
|
1.0
|
CB
|
A:GLU218
|
4.7
|
46.2
|
1.0
|
OE2
|
A:GLU218
|
4.9
|
73.0
|
1.0
|
|
Manganese binding site 4 out
of 7 in 5tyy
Go back to
Manganese Binding Sites List in 5tyy
Manganese binding site 4 out
of 7 in the Dna Polymerase Mu Product Complex, MN2+ (60 Min)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Dna Polymerase Mu Product Complex, MN2+ (60 Min) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn504
b:52.7
occ:0.52
|
OP3
|
D:DG1
|
2.2
|
33.4
|
1.0
|
O
|
A:HOH839
|
2.4
|
44.2
|
1.0
|
ND1
|
A:HIS208
|
2.6
|
33.6
|
1.0
|
O
|
D:HOH117
|
2.6
|
42.1
|
1.0
|
CE1
|
A:HIS208
|
3.3
|
31.9
|
1.0
|
CG
|
A:HIS208
|
3.5
|
31.9
|
1.0
|
P
|
D:DG1
|
3.5
|
32.8
|
1.0
|
O
|
D:HOH114
|
3.5
|
39.1
|
1.0
|
CB
|
A:HIS208
|
3.8
|
29.9
|
1.0
|
OP1
|
D:DG1
|
3.9
|
30.7
|
1.0
|
OP2
|
D:DG1
|
4.1
|
33.8
|
1.0
|
O
|
D:HOH106
|
4.1
|
40.0
|
1.0
|
O
|
A:HOH711
|
4.3
|
46.1
|
1.0
|
NE2
|
A:HIS208
|
4.3
|
33.6
|
1.0
|
CD2
|
A:HIS208
|
4.4
|
32.7
|
1.0
|
NH2
|
A:ARG211
|
4.6
|
55.5
|
1.0
|
O5'
|
D:DG1
|
4.7
|
31.6
|
1.0
|
CA
|
A:HIS208
|
4.8
|
29.2
|
1.0
|
|
Manganese binding site 5 out
of 7 in 5tyy
Go back to
Manganese Binding Sites List in 5tyy
Manganese binding site 5 out
of 7 in the Dna Polymerase Mu Product Complex, MN2+ (60 Min)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Dna Polymerase Mu Product Complex, MN2+ (60 Min) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn505
b:56.6
occ:1.00
|
OE2
|
A:GLU386
|
2.3
|
32.6
|
1.0
|
O
|
T:HOH201
|
2.5
|
36.8
|
1.0
|
O
|
A:HOH799
|
2.5
|
37.9
|
1.0
|
O
|
A:HOH848
|
2.6
|
39.2
|
1.0
|
OE1
|
A:GLU386
|
2.6
|
40.2
|
1.0
|
NE2
|
A:HIS459
|
2.7
|
33.5
|
1.0
|
CD
|
A:GLU386
|
2.8
|
34.1
|
1.0
|
CD2
|
A:HIS459
|
3.3
|
32.9
|
1.0
|
CE1
|
A:HIS459
|
3.9
|
33.8
|
1.0
|
O
|
A:HOH674
|
4.1
|
34.8
|
1.0
|
OP1
|
T:DC8
|
4.1
|
30.3
|
1.0
|
CG
|
A:GLU386
|
4.3
|
30.8
|
1.0
|
O
|
A:HOH617
|
4.4
|
26.3
|
1.0
|
O
|
A:HOH847
|
4.6
|
41.3
|
1.0
|
CG
|
A:HIS459
|
4.6
|
29.2
|
1.0
|
C5'
|
T:DC8
|
4.6
|
26.6
|
1.0
|
ND1
|
A:HIS459
|
4.8
|
34.5
|
1.0
|
OE1
|
A:GLN426
|
4.8
|
28.3
|
1.0
|
|
Manganese binding site 6 out
of 7 in 5tyy
Go back to
Manganese Binding Sites List in 5tyy
Manganese binding site 6 out
of 7 in the Dna Polymerase Mu Product Complex, MN2+ (60 Min)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Dna Polymerase Mu Product Complex, MN2+ (60 Min) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Mn101
b:40.3
occ:0.56
|
O
|
T:HOH227
|
2.3
|
38.8
|
1.0
|
O
|
T:HOH202
|
2.4
|
39.0
|
1.0
|
N7
|
T:DG2
|
2.7
|
34.5
|
1.0
|
C8
|
T:DG2
|
3.5
|
35.6
|
1.0
|
C5
|
T:DG2
|
3.8
|
30.9
|
1.0
|
O
|
T:HOH203
|
3.8
|
35.1
|
1.0
|
O6
|
T:DG2
|
4.0
|
31.2
|
1.0
|
OP2
|
T:DG2
|
4.2
|
46.1
|
1.0
|
C6
|
T:DG2
|
4.3
|
30.4
|
1.0
|
O6
|
T:DG3
|
4.4
|
27.0
|
1.0
|
O
|
D:HOH109
|
4.5
|
39.2
|
1.0
|
C2'
|
T:DC1
|
4.6
|
45.0
|
1.0
|
N9
|
T:DG2
|
4.8
|
33.0
|
1.0
|
C4
|
T:DG2
|
4.9
|
31.6
|
1.0
|
C6
|
T:DC1
|
4.9
|
39.0
|
1.0
|
C3'
|
T:DC1
|
4.9
|
50.1
|
1.0
|
|
Manganese binding site 7 out
of 7 in 5tyy
Go back to
Manganese Binding Sites List in 5tyy
Manganese binding site 7 out
of 7 in the Dna Polymerase Mu Product Complex, MN2+ (60 Min)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Dna Polymerase Mu Product Complex, MN2+ (60 Min) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Mn101
b:33.3
occ:0.40
|
O
|
P:HOH214
|
2.1
|
23.2
|
0.4
|
OP2
|
P:DT5
|
2.2
|
21.7
|
1.0
|
O32
|
A:PPV507
|
2.2
|
29.6
|
1.0
|
O
|
A:HOH797
|
2.3
|
20.5
|
0.4
|
O
|
A:HOH601
|
2.3
|
28.0
|
0.4
|
O
|
A:HOH760
|
2.7
|
28.2
|
0.4
|
P
|
P:DT5
|
3.2
|
21.7
|
1.0
|
O21
|
A:PPV507
|
3.3
|
37.3
|
0.7
|
O31
|
A:PPV507
|
3.4
|
24.8
|
0.7
|
O
|
P:HOH214
|
3.4
|
26.9
|
0.6
|
O5'
|
P:DT5
|
3.6
|
18.0
|
1.0
|
OP1
|
P:DT5
|
3.6
|
19.8
|
1.0
|
P2
|
A:PPV507
|
3.7
|
25.0
|
1.0
|
P1
|
A:PPV507
|
3.9
|
43.6
|
0.7
|
O
|
A:HOH862
|
4.1
|
41.9
|
1.0
|
C7
|
P:DT5
|
4.3
|
23.1
|
1.0
|
OPP
|
A:PPV507
|
4.3
|
30.1
|
0.7
|
O12
|
A:PPV507
|
4.4
|
20.6
|
1.0
|
O22
|
A:PPV507
|
4.4
|
21.2
|
1.0
|
O
|
P:HOH204
|
4.5
|
19.6
|
1.0
|
MN
|
A:MN501
|
4.5
|
17.4
|
1.0
|
O
|
A:HOH661
|
4.6
|
19.4
|
1.0
|
O3'
|
P:DA4
|
4.7
|
21.9
|
1.0
|
C5'
|
P:DT5
|
4.8
|
17.4
|
1.0
|
|
Reference:
J.A.Jamsen,
W.A.Beard,
L.C.Pedersen,
D.D.Shock,
A.F.Moon,
J.M.Krahn,
K.Bebenek,
T.A.Kunkel,
S.H.Wilson.
Time-Lapse Crystallography Snapshots of A Double-Strand Break Repair Polymerase in Action. Nat Commun V. 8 253 2017.
ISSN: ESSN 2041-1723
PubMed: 28811466
DOI: 10.1038/S41467-017-00271-7
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