Manganese in PDB 7u75: Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S
Enzymatic activity of Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S
All present enzymatic activity of Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S:
2.7.7.7;
Protein crystallography data
The structure of Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S, PDB code: 7u75
was solved by
C.Chang,
Y.Gao,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
37.88 /
1.55
|
Space group
|
P 61
|
Cell size a, b, c (Å), α, β, γ (°)
|
98.616,
98.616,
82.057,
90,
90,
120
|
R / Rfree (%)
|
18.7 /
22.2
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S
(pdb code 7u75). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the
Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S, PDB code: 7u75:
Jump to Manganese binding site number:
1;
2;
3;
Manganese binding site 1 out
of 3 in 7u75
Go back to
Manganese Binding Sites List in 7u75
Manganese binding site 1 out
of 3 in the Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn501
b:22.6
occ:0.40
|
OE1
|
A:GLU116
|
2.0
|
38.6
|
1.0
|
OD1
|
A:ASP115
|
2.1
|
33.1
|
0.8
|
OD2
|
A:ASP13
|
2.2
|
35.9
|
0.4
|
O
|
A:HOH615
|
2.2
|
32.8
|
0.5
|
OD1
|
A:ASP13
|
2.2
|
37.0
|
0.6
|
O1A
|
A:DGT505
|
2.3
|
26.3
|
0.8
|
O
|
A:HOH858
|
2.4
|
31.1
|
0.5
|
O3'
|
P:DT8
|
2.5
|
35.9
|
0.3
|
OD1
|
A:ASP115
|
2.6
|
27.3
|
0.2
|
CG
|
A:ASP115
|
3.0
|
29.6
|
0.8
|
CD
|
A:GLU116
|
3.2
|
44.6
|
1.0
|
CG
|
A:ASP13
|
3.2
|
29.2
|
0.4
|
OD2
|
A:ASP115
|
3.2
|
32.0
|
0.8
|
CG
|
A:ASP13
|
3.2
|
29.1
|
0.6
|
CG
|
A:ASP115
|
3.3
|
22.9
|
0.2
|
PA
|
A:DGT505
|
3.5
|
28.1
|
0.8
|
C3'
|
P:DT8
|
3.5
|
33.5
|
0.3
|
MN
|
A:MN507
|
3.6
|
23.0
|
0.8
|
OD1
|
A:ASP13
|
3.7
|
37.0
|
0.4
|
CB
|
A:GLU116
|
3.7
|
34.5
|
1.0
|
OG
|
A:SER113
|
3.7
|
34.1
|
1.0
|
OD2
|
A:ASP115
|
3.8
|
27.7
|
0.2
|
OD2
|
A:ASP13
|
3.8
|
37.5
|
0.6
|
OE2
|
A:GLU116
|
3.9
|
47.0
|
1.0
|
O5'
|
A:DGT505
|
4.0
|
24.6
|
0.8
|
O2A
|
A:DGT505
|
4.1
|
31.8
|
0.8
|
CG
|
A:GLU116
|
4.1
|
33.6
|
1.0
|
C4'
|
P:DT8
|
4.2
|
38.4
|
0.3
|
O
|
A:HOH888
|
4.3
|
30.9
|
0.6
|
C5'
|
A:DGT505
|
4.3
|
24.3
|
0.8
|
CB
|
A:ASP115
|
4.4
|
25.3
|
0.2
|
O
|
A:HOH772
|
4.4
|
43.7
|
1.0
|
CB
|
A:ASP13
|
4.4
|
23.4
|
0.6
|
CB
|
A:ASP115
|
4.4
|
25.3
|
0.8
|
CB
|
A:ASP13
|
4.4
|
23.5
|
0.4
|
C
|
A:ASP115
|
4.4
|
29.3
|
1.0
|
N
|
A:GLU116
|
4.5
|
21.4
|
1.0
|
NZ
|
A:LYS224
|
4.5
|
41.6
|
1.0
|
O
|
A:ASP115
|
4.5
|
28.2
|
1.0
|
CA
|
A:GLU116
|
4.7
|
29.7
|
1.0
|
O2G
|
A:DGT505
|
4.7
|
25.7
|
0.8
|
C2'
|
P:DT8
|
4.8
|
31.0
|
0.3
|
O3A
|
A:DGT505
|
4.8
|
26.4
|
0.8
|
CA
|
A:ASP115
|
4.8
|
21.5
|
0.2
|
CB
|
A:SER113
|
4.9
|
28.1
|
1.0
|
CA
|
A:ASP115
|
4.9
|
21.3
|
0.8
|
C5'
|
P:DT8
|
5.0
|
40.0
|
0.3
|
O2B
|
A:DGT505
|
5.0
|
21.4
|
0.8
|
|
Manganese binding site 2 out
of 3 in 7u75
Go back to
Manganese Binding Sites List in 7u75
Manganese binding site 2 out
of 3 in the Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn506
b:37.4
occ:0.20
|
O
|
A:HOH993
|
2.1
|
40.9
|
0.6
|
O
|
A:HOH628
|
2.2
|
38.7
|
1.0
|
NH1
|
A:ARG61
|
2.4
|
29.7
|
0.2
|
O3A
|
A:DGT505
|
2.4
|
26.4
|
0.8
|
O2A
|
A:DGT505
|
2.5
|
31.8
|
0.8
|
O
|
A:HOH814
|
2.7
|
54.5
|
1.0
|
PA
|
A:DGT505
|
3.1
|
28.1
|
0.8
|
O
|
A:HOH894
|
3.1
|
31.6
|
1.0
|
CZ
|
A:ARG61
|
3.2
|
28.7
|
0.2
|
O
|
A:HOH856
|
3.3
|
26.8
|
0.6
|
O3'
|
P:DT8
|
3.4
|
33.3
|
0.7
|
NH2
|
A:ARG61
|
3.4
|
25.4
|
0.2
|
O3G
|
A:DGT505
|
3.4
|
24.1
|
0.8
|
O3B
|
A:DGT505
|
3.5
|
22.2
|
0.8
|
PB
|
A:DGT505
|
3.6
|
22.5
|
0.8
|
PG
|
A:DGT505
|
3.9
|
24.2
|
0.8
|
O1A
|
A:DGT505
|
4.1
|
26.3
|
0.8
|
O1B
|
A:DGT505
|
4.1
|
21.4
|
0.8
|
C3'
|
P:DT8
|
4.1
|
37.8
|
0.7
|
O5'
|
A:DGT505
|
4.2
|
24.6
|
0.8
|
O2G
|
A:DGT505
|
4.2
|
25.7
|
0.8
|
O
|
A:HOH905
|
4.3
|
46.2
|
0.7
|
O
|
A:HOH772
|
4.4
|
43.7
|
1.0
|
O
|
A:HOH691
|
4.4
|
24.1
|
1.0
|
NE
|
A:ARG61
|
4.4
|
28.1
|
0.2
|
NH2
|
A:ARG55
|
4.6
|
26.4
|
1.0
|
O2B
|
A:DGT505
|
4.8
|
21.4
|
0.8
|
O
|
A:HOH931
|
4.8
|
40.5
|
1.0
|
CD
|
A:ARG61
|
5.0
|
32.2
|
0.8
|
|
Manganese binding site 3 out
of 3 in 7u75
Go back to
Manganese Binding Sites List in 7u75
Manganese binding site 3 out
of 3 in the Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Human Dna Polymerase Eta-Dna Ternary Mismatch Complex:Reaction with 0.5 Mm MN2+ For 1800S Then with 10 Mm MN2+ For 90S within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn507
b:23.0
occ:0.75
|
OD1
|
A:ASP13
|
1.8
|
37.0
|
0.4
|
OD2
|
A:ASP115
|
2.0
|
32.0
|
0.8
|
OD2
|
A:ASP13
|
2.1
|
37.5
|
0.6
|
O
|
A:MET14
|
2.1
|
25.7
|
1.0
|
O2G
|
A:DGT505
|
2.1
|
25.7
|
0.8
|
O2B
|
A:DGT505
|
2.2
|
21.4
|
0.8
|
O1A
|
A:DGT505
|
2.4
|
26.3
|
0.8
|
CG
|
A:ASP13
|
2.7
|
29.1
|
0.6
|
CG
|
A:ASP13
|
2.8
|
29.2
|
0.4
|
OD1
|
A:ASP13
|
2.8
|
37.0
|
0.6
|
CG
|
A:ASP115
|
3.2
|
29.6
|
0.8
|
OD2
|
A:ASP13
|
3.2
|
35.9
|
0.4
|
PB
|
A:DGT505
|
3.2
|
22.5
|
0.8
|
C
|
A:MET14
|
3.3
|
21.5
|
1.0
|
PG
|
A:DGT505
|
3.4
|
24.2
|
0.8
|
O3A
|
A:DGT505
|
3.5
|
26.4
|
0.8
|
PA
|
A:DGT505
|
3.5
|
28.1
|
0.8
|
MN
|
A:MN501
|
3.6
|
22.6
|
0.4
|
O3B
|
A:DGT505
|
3.7
|
22.2
|
0.8
|
OD1
|
A:ASP115
|
3.7
|
33.1
|
0.8
|
N
|
A:MET14
|
3.8
|
19.9
|
1.0
|
OD2
|
A:ASP115
|
3.9
|
27.7
|
0.2
|
CG
|
A:ASP115
|
4.0
|
22.9
|
0.2
|
O1G
|
A:DGT505
|
4.0
|
22.6
|
0.8
|
O
|
A:HOH772
|
4.1
|
43.7
|
1.0
|
CB
|
A:ASP13
|
4.1
|
23.5
|
0.4
|
CA
|
A:MET14
|
4.1
|
18.8
|
1.0
|
CB
|
A:ASP13
|
4.1
|
23.4
|
0.6
|
C
|
A:ASP13
|
4.1
|
21.6
|
1.0
|
C5'
|
A:DGT505
|
4.1
|
24.3
|
0.8
|
NZ
|
A:LYS231
|
4.2
|
38.9
|
1.0
|
O
|
A:HOH615
|
4.3
|
32.8
|
0.5
|
N
|
A:ASP15
|
4.3
|
18.2
|
1.0
|
O5'
|
A:DGT505
|
4.3
|
24.6
|
0.8
|
CB
|
A:ASP115
|
4.3
|
25.3
|
0.2
|
CB
|
A:ASP115
|
4.4
|
25.3
|
0.8
|
N
|
A:CYS16
|
4.4
|
21.5
|
1.0
|
OD1
|
A:ASP115
|
4.4
|
27.3
|
0.2
|
CA
|
A:ASP15
|
4.4
|
18.6
|
1.0
|
O
|
A:ASP13
|
4.5
|
22.6
|
1.0
|
C
|
A:ASP15
|
4.6
|
19.5
|
1.0
|
CA
|
A:ASP13
|
4.6
|
22.2
|
0.4
|
CA
|
A:ASP13
|
4.6
|
22.1
|
0.6
|
O1B
|
A:DGT505
|
4.6
|
21.4
|
0.8
|
O3G
|
A:DGT505
|
4.6
|
24.1
|
0.8
|
CB
|
A:MET14
|
4.7
|
20.7
|
1.0
|
O2A
|
A:DGT505
|
4.7
|
31.8
|
0.8
|
N
|
A:PHE17
|
4.7
|
19.5
|
1.0
|
O
|
A:ASP115
|
4.8
|
28.2
|
1.0
|
CE
|
A:LYS231
|
4.9
|
50.8
|
1.0
|
|
Reference:
C.Chang,
C.Lee Luo,
Y.Gao.
In Crystallo Observation of Three Metal Ion Promoted Dna Polymerase Misincorporation. Nat Commun V. 13 2346 2022.
ISSN: ESSN 2041-1723
PubMed: 35487947
DOI: 10.1038/S41467-022-30005-3
Page generated: Sun Oct 6 10:41:38 2024
|