Magnesium in PDB 7u7s: Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S
Enzymatic activity of Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S
All present enzymatic activity of Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S:
2.7.7.7;
Protein crystallography data
The structure of Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S, PDB code: 7u7s
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)
|
42.63 /
1.60
|
Space group
|
P 61
|
Cell size a, b, c (Å), α, β, γ (°)
|
98.452,
98.452,
82.203,
90,
90,
120
|
R / Rfree (%)
|
18.8 /
20.7
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S
(pdb code 7u7s). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the
Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S, PDB code: 7u7s:
Jump to Magnesium binding site number:
1;
2;
Magnesium binding site 1 out
of 2 in 7u7s
Go back to
Magnesium Binding Sites List in 7u7s
Magnesium binding site 1 out
of 2 in the Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg501
b:33.0
occ:0.75
|
OD1
|
A:ASP115
|
2.1
|
29.7
|
0.3
|
OE1
|
A:GLU116
|
2.1
|
44.0
|
1.0
|
O
|
A:HOH775
|
2.3
|
44.1
|
0.8
|
O3'
|
P:DT8
|
2.3
|
35.0
|
0.1
|
OD1
|
A:ASP13
|
2.5
|
40.5
|
1.0
|
O1A
|
A:XG4505
|
2.5
|
25.8
|
0.8
|
O
|
A:HOH901
|
2.5
|
34.9
|
0.4
|
OD1
|
A:ASP115
|
2.5
|
34.6
|
0.7
|
CG
|
A:ASP115
|
3.1
|
28.8
|
0.3
|
CD
|
A:GLU116
|
3.3
|
45.8
|
1.0
|
CG
|
A:ASP115
|
3.4
|
25.5
|
0.7
|
C3'
|
P:DT8
|
3.4
|
34.6
|
0.1
|
CG
|
A:ASP13
|
3.5
|
29.4
|
1.0
|
OG
|
A:SER113
|
3.5
|
33.5
|
1.0
|
PA
|
A:XG4505
|
3.6
|
24.9
|
0.8
|
MG
|
A:MG502
|
3.6
|
20.0
|
1.0
|
OD2
|
A:ASP115
|
3.7
|
25.5
|
0.7
|
OD2
|
A:ASP115
|
3.8
|
29.3
|
0.3
|
CB
|
A:GLU116
|
3.8
|
35.9
|
1.0
|
O2A
|
A:XG4505
|
4.0
|
25.0
|
0.8
|
O5'
|
A:XG4505
|
4.0
|
25.1
|
0.8
|
OD2
|
A:ASP13
|
4.0
|
46.1
|
1.0
|
CG
|
A:GLU116
|
4.1
|
41.1
|
1.0
|
CB
|
A:ASP115
|
4.2
|
25.9
|
0.3
|
OE2
|
A:GLU116
|
4.2
|
47.6
|
1.0
|
C5'
|
A:XG4505
|
4.3
|
22.5
|
0.8
|
C4'
|
P:DT8
|
4.3
|
35.4
|
0.1
|
O
|
A:HOH689
|
4.4
|
37.1
|
1.0
|
C
|
A:ASP115
|
4.5
|
26.9
|
1.0
|
N
|
A:GLU116
|
4.5
|
24.0
|
1.0
|
C2'
|
P:DT8
|
4.6
|
35.1
|
0.1
|
CB
|
A:SER113
|
4.6
|
25.8
|
1.0
|
O5'
|
P:DT8
|
4.6
|
37.5
|
0.1
|
CB
|
A:ASP13
|
4.6
|
22.5
|
1.0
|
O
|
A:ASP115
|
4.7
|
30.6
|
1.0
|
NZ
|
A:LYS224
|
4.7
|
39.5
|
1.0
|
CB
|
A:ASP115
|
4.7
|
25.3
|
0.7
|
CA
|
A:GLU116
|
4.8
|
27.3
|
1.0
|
CA
|
A:ASP115
|
4.8
|
24.9
|
0.3
|
O
|
P:HOH114
|
4.9
|
34.1
|
0.5
|
C5'
|
P:DT8
|
4.9
|
39.0
|
0.1
|
O1G
|
A:XG4505
|
4.9
|
23.5
|
0.8
|
CA
|
A:ASP115
|
5.0
|
24.6
|
0.7
|
|
Magnesium binding site 2 out
of 2 in 7u7s
Go back to
Magnesium Binding Sites List in 7u7s
Magnesium binding site 2 out
of 2 in the Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Human Dna Polymerase Eta-Dna-Dgmpnpp Ternary Mismatch Complex in 0.025 Mm MG2+ For 600S within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg502
b:20.0
occ:1.00
|
O
|
A:MET14
|
2.2
|
26.7
|
1.0
|
OD2
|
A:ASP13
|
2.2
|
46.1
|
1.0
|
OD2
|
A:ASP115
|
2.2
|
25.5
|
0.7
|
O1G
|
A:XG4505
|
2.3
|
23.5
|
0.8
|
O1B
|
A:XG4505
|
2.4
|
19.9
|
0.8
|
O1A
|
A:XG4505
|
2.4
|
25.8
|
0.8
|
OD1
|
A:ASP13
|
2.6
|
40.5
|
1.0
|
CG
|
A:ASP13
|
2.7
|
29.4
|
1.0
|
CG
|
A:ASP115
|
3.2
|
25.5
|
0.7
|
PB
|
A:XG4505
|
3.3
|
22.8
|
0.8
|
C
|
A:MET14
|
3.4
|
21.5
|
1.0
|
PG
|
A:XG4505
|
3.5
|
22.7
|
0.8
|
PA
|
A:XG4505
|
3.6
|
24.9
|
0.8
|
MG
|
A:MG501
|
3.6
|
33.0
|
0.8
|
OD1
|
A:ASP115
|
3.6
|
34.6
|
0.7
|
O3B
|
A:XG4505
|
3.8
|
19.6
|
0.8
|
N3A
|
A:XG4505
|
3.8
|
22.0
|
0.8
|
N
|
A:MET14
|
3.9
|
19.7
|
1.0
|
CG
|
A:ASP115
|
3.9
|
28.8
|
0.3
|
O
|
A:HOH689
|
4.0
|
37.1
|
1.0
|
OD1
|
A:ASP115
|
4.0
|
29.7
|
0.3
|
NZ
|
A:LYS231
|
4.0
|
26.0
|
1.0
|
CB
|
A:ASP115
|
4.1
|
25.9
|
0.3
|
CB
|
A:ASP13
|
4.1
|
22.5
|
1.0
|
CA
|
A:MET14
|
4.1
|
18.6
|
1.0
|
OD2
|
A:ASP115
|
4.1
|
29.3
|
0.3
|
O2G
|
A:XG4505
|
4.2
|
23.5
|
0.8
|
C
|
A:ASP13
|
4.2
|
21.2
|
1.0
|
C5'
|
A:XG4505
|
4.2
|
22.5
|
0.8
|
O
|
A:HOH775
|
4.3
|
44.1
|
0.8
|
N
|
A:ASP15
|
4.4
|
19.4
|
1.0
|
O5'
|
A:XG4505
|
4.4
|
25.1
|
0.8
|
CB
|
A:ASP115
|
4.5
|
25.3
|
0.7
|
CA
|
A:ASP15
|
4.6
|
19.4
|
1.0
|
N
|
A:CYS16
|
4.6
|
22.0
|
1.0
|
CA
|
A:ASP13
|
4.6
|
22.7
|
1.0
|
O
|
A:ASP13
|
4.6
|
23.0
|
1.0
|
CB
|
A:MET14
|
4.7
|
23.2
|
1.0
|
C
|
A:ASP15
|
4.7
|
26.0
|
1.0
|
O2B
|
A:XG4505
|
4.7
|
24.3
|
0.8
|
O3G
|
A:XG4505
|
4.7
|
26.7
|
0.8
|
O
|
A:ASP115
|
4.8
|
30.6
|
1.0
|
N
|
A:PHE17
|
4.8
|
21.5
|
1.0
|
O2A
|
A:XG4505
|
4.8
|
25.0
|
0.8
|
CB
|
A:PHE17
|
5.0
|
16.1
|
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: Thu Oct 3 09:50:52 2024
|