Magnesium in PDB 7m0e: Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
Enzymatic activity of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
All present enzymatic activity of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp:
2.7.7.7;
Protein crystallography data
The structure of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp, PDB code: 7m0e
was solved by
A.M.Kaminski,
K.Bebenek,
L.C.Pedersen,
T.A.Kunkel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.16 /
2.25
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
64.966,
85.819,
91.421,
105.22,
92.58,
111.3
|
R / Rfree (%)
|
18.4 /
22.2
|
Other elements in 7m0e:
The structure of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
(pdb code 7m0e). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp, PDB code: 7m0e:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 7m0e
Go back to
Magnesium Binding Sites List in 7m0e
Magnesium binding site 1 out
of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg702
b:24.1
occ:1.00
|
O2B
|
A:DUP701
|
2.0
|
23.8
|
1.0
|
OD1
|
A:ASP427
|
2.1
|
24.3
|
1.0
|
O2G
|
A:DUP701
|
2.1
|
23.8
|
1.0
|
OD2
|
A:ASP429
|
2.1
|
22.9
|
1.0
|
O2A
|
A:DUP701
|
2.2
|
23.8
|
1.0
|
O
|
A:HOH840
|
2.2
|
23.8
|
1.0
|
PB
|
A:DUP701
|
3.1
|
24.6
|
1.0
|
CG
|
A:ASP427
|
3.2
|
33.2
|
1.0
|
CG
|
A:ASP429
|
3.2
|
24.7
|
1.0
|
PA
|
A:DUP701
|
3.3
|
23.8
|
1.0
|
PG
|
A:DUP701
|
3.3
|
24.6
|
1.0
|
N3A
|
A:DUP701
|
3.5
|
24.5
|
1.0
|
O3B
|
A:DUP701
|
3.5
|
23.8
|
1.0
|
OD1
|
A:ASP429
|
3.6
|
29.4
|
1.0
|
OD2
|
A:ASP427
|
3.7
|
36.5
|
1.0
|
O
|
A:ASP427
|
4.0
|
25.8
|
1.0
|
O3G
|
A:DUP701
|
4.0
|
26.9
|
1.0
|
C5'
|
A:DUP701
|
4.1
|
23.8
|
1.0
|
OG
|
A:SER417
|
4.1
|
26.7
|
1.0
|
O
|
A:HOH870
|
4.2
|
35.5
|
1.0
|
O5'
|
A:DUP701
|
4.2
|
24.4
|
1.0
|
N
|
A:ASP427
|
4.2
|
27.3
|
1.0
|
O
|
A:HOH812
|
4.2
|
29.1
|
1.0
|
N
|
A:SER417
|
4.3
|
24.1
|
1.0
|
C
|
A:ASP427
|
4.3
|
28.1
|
1.0
|
O1B
|
A:DUP701
|
4.4
|
25.7
|
1.0
|
CA
|
A:GLY416
|
4.4
|
25.2
|
1.0
|
O1A
|
A:DUP701
|
4.4
|
30.6
|
1.0
|
CB
|
A:ASP427
|
4.4
|
26.2
|
1.0
|
CB
|
A:ASP429
|
4.5
|
23.0
|
1.0
|
O1G
|
A:DUP701
|
4.5
|
35.9
|
1.0
|
CA
|
A:ASP427
|
4.6
|
28.3
|
1.0
|
O
|
A:HOH868
|
4.8
|
27.9
|
1.0
|
C
|
A:GLY416
|
4.9
|
28.5
|
1.0
|
N
|
A:ASP429
|
4.9
|
31.2
|
1.0
|
CB
|
A:SER417
|
4.9
|
25.6
|
1.0
|
N
|
A:VAL428
|
5.0
|
25.4
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 7m0e
Go back to
Magnesium Binding Sites List in 7m0e
Magnesium binding site 2 out
of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg101
b:27.3
occ:1.00
|
O
|
J:HOH102
|
2.1
|
23.8
|
1.0
|
O
|
F:HOH211
|
2.1
|
24.7
|
1.0
|
O
|
F:HOH201
|
2.1
|
23.8
|
1.0
|
O
|
J:HOH109
|
2.1
|
23.8
|
1.0
|
O
|
F:HOH203
|
2.2
|
23.8
|
1.0
|
O
|
J:HOH101
|
2.2
|
23.8
|
1.0
|
O5'
|
F:DC1
|
3.7
|
29.5
|
1.0
|
OP2
|
F:DA2
|
4.0
|
29.9
|
1.0
|
O6
|
J:DG3
|
4.0
|
27.4
|
1.0
|
O5'
|
J:DC1
|
4.0
|
23.5
|
1.0
|
N7
|
F:DA2
|
4.1
|
21.7
|
1.0
|
O6
|
F:DG3
|
4.1
|
22.6
|
1.0
|
OP2
|
J:DA2
|
4.2
|
33.9
|
1.0
|
O
|
F:HOH207
|
4.2
|
43.5
|
1.0
|
N7
|
J:DA2
|
4.3
|
25.9
|
1.0
|
N7
|
F:DG3
|
4.5
|
26.9
|
1.0
|
N7
|
J:DG3
|
4.5
|
24.9
|
1.0
|
C8
|
F:DA2
|
4.6
|
23.5
|
1.0
|
C8
|
J:DA2
|
4.8
|
23.0
|
1.0
|
C5'
|
J:DC1
|
4.8
|
24.7
|
1.0
|
C6
|
J:DG3
|
4.9
|
29.4
|
1.0
|
C5'
|
F:DC1
|
4.9
|
25.6
|
1.0
|
C6
|
F:DG3
|
5.0
|
20.3
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 7m0e
Go back to
Magnesium Binding Sites List in 7m0e
Magnesium binding site 3 out
of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg601
b:30.1
occ:1.00
|
OD1
|
B:ASP427
|
1.9
|
27.5
|
1.0
|
O2A
|
B:DUP603
|
2.0
|
25.5
|
1.0
|
O
|
B:HOH717
|
2.1
|
29.0
|
1.0
|
O2B
|
B:DUP603
|
2.1
|
25.7
|
1.0
|
OD2
|
B:ASP429
|
2.1
|
28.5
|
1.0
|
O1G
|
B:DUP603
|
2.1
|
31.4
|
1.0
|
CG
|
B:ASP427
|
3.0
|
30.3
|
1.0
|
CG
|
B:ASP429
|
3.1
|
29.6
|
1.0
|
PB
|
B:DUP603
|
3.2
|
29.8
|
1.0
|
PA
|
B:DUP603
|
3.3
|
24.2
|
1.0
|
OD1
|
B:ASP429
|
3.4
|
29.9
|
1.0
|
OD2
|
B:ASP427
|
3.4
|
33.5
|
1.0
|
PG
|
B:DUP603
|
3.4
|
32.4
|
1.0
|
N3A
|
B:DUP603
|
3.5
|
27.7
|
1.0
|
O3B
|
B:DUP603
|
3.7
|
23.8
|
1.0
|
O
|
B:ASP427
|
4.0
|
38.9
|
1.0
|
O
|
B:HOH748
|
4.0
|
38.7
|
1.0
|
C5'
|
B:DUP603
|
4.0
|
26.1
|
1.0
|
O5'
|
B:DUP603
|
4.2
|
26.1
|
1.0
|
OG
|
B:SER417
|
4.2
|
35.2
|
1.0
|
O3G
|
B:DUP603
|
4.2
|
32.8
|
1.0
|
C
|
B:ASP427
|
4.2
|
28.9
|
1.0
|
N
|
B:ASP427
|
4.2
|
32.9
|
1.0
|
CB
|
B:ASP427
|
4.2
|
28.2
|
1.0
|
O
|
B:HOH720
|
4.3
|
30.9
|
1.0
|
O1A
|
B:DUP603
|
4.4
|
28.8
|
1.0
|
N
|
B:SER417
|
4.4
|
32.4
|
1.0
|
CB
|
B:ASP429
|
4.4
|
25.8
|
1.0
|
CA
|
B:GLY416
|
4.4
|
28.0
|
1.0
|
CA
|
B:ASP427
|
4.5
|
31.2
|
1.0
|
O1B
|
B:DUP603
|
4.5
|
23.8
|
1.0
|
O2G
|
B:DUP603
|
4.5
|
33.6
|
1.0
|
O
|
B:HOH708
|
4.6
|
37.0
|
1.0
|
N
|
B:ASP429
|
4.8
|
29.3
|
1.0
|
N
|
B:VAL428
|
4.9
|
28.9
|
1.0
|
C
|
B:GLY416
|
5.0
|
32.6
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 7m0e
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Magnesium Binding Sites List in 7m0e
Magnesium binding site 4 out
of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg601
b:37.8
occ:1.00
|
OD1
|
C:ASP427
|
2.0
|
32.1
|
1.0
|
O1B
|
C:DUP603
|
2.1
|
39.2
|
1.0
|
O1A
|
C:DUP603
|
2.1
|
29.0
|
1.0
|
O2G
|
C:DUP603
|
2.1
|
38.0
|
1.0
|
OD2
|
C:ASP429
|
2.1
|
32.3
|
1.0
|
O
|
C:HOH719
|
2.2
|
32.3
|
1.0
|
CG
|
C:ASP427
|
3.1
|
33.4
|
1.0
|
CG
|
C:ASP429
|
3.1
|
34.9
|
1.0
|
PB
|
C:DUP603
|
3.1
|
37.8
|
1.0
|
PG
|
C:DUP603
|
3.3
|
36.4
|
1.0
|
PA
|
C:DUP603
|
3.3
|
32.4
|
1.0
|
O3B
|
C:DUP603
|
3.5
|
34.1
|
1.0
|
OD1
|
C:ASP429
|
3.5
|
36.4
|
1.0
|
OD2
|
C:ASP427
|
3.6
|
37.4
|
1.0
|
N3A
|
C:DUP603
|
3.6
|
35.6
|
1.0
|
O
|
C:ASP427
|
3.9
|
44.1
|
1.0
|
O3G
|
C:DUP603
|
3.9
|
41.7
|
1.0
|
OG
|
C:SER417
|
4.2
|
38.4
|
1.0
|
C
|
C:ASP427
|
4.2
|
41.2
|
1.0
|
N
|
C:ASP427
|
4.2
|
34.5
|
1.0
|
C5'
|
C:DUP603
|
4.3
|
32.1
|
1.0
|
O5'
|
C:DUP603
|
4.3
|
36.2
|
1.0
|
CB
|
C:ASP427
|
4.3
|
34.3
|
1.0
|
O2A
|
C:DUP603
|
4.4
|
29.4
|
1.0
|
N
|
C:SER417
|
4.4
|
35.4
|
1.0
|
O2B
|
C:DUP603
|
4.5
|
31.7
|
1.0
|
CB
|
C:ASP429
|
4.5
|
32.3
|
1.0
|
CA
|
C:ASP427
|
4.5
|
34.8
|
1.0
|
CA
|
C:GLY416
|
4.5
|
33.6
|
1.0
|
O1G
|
C:DUP603
|
4.5
|
34.4
|
1.0
|
N
|
C:ASP429
|
4.9
|
30.6
|
1.0
|
N
|
C:VAL428
|
4.9
|
34.9
|
1.0
|
CB
|
C:SER417
|
5.0
|
37.3
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 7m0e
Go back to
Magnesium Binding Sites List in 7m0e
Magnesium binding site 5 out
of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Mg101
b:37.0
occ:1.00
|
O
|
N:HOH201
|
2.0
|
28.8
|
1.0
|
O
|
N:HOH209
|
2.0
|
25.8
|
1.0
|
O
|
R:HOH101
|
2.1
|
38.6
|
1.0
|
O
|
R:HOH103
|
2.2
|
29.7
|
1.0
|
O
|
R:HOH107
|
2.2
|
29.5
|
1.0
|
O
|
N:HOH202
|
2.3
|
36.7
|
1.0
|
O5'
|
R:DC1
|
3.9
|
30.7
|
1.0
|
O6
|
N:DG3
|
4.0
|
31.1
|
1.0
|
OP2
|
R:DA2
|
4.0
|
42.0
|
1.0
|
N7
|
R:DA2
|
4.1
|
38.0
|
1.0
|
O
|
N:HOH203
|
4.1
|
39.6
|
1.0
|
O6
|
R:DG3
|
4.2
|
36.8
|
1.0
|
N7
|
N:DA2
|
4.2
|
37.8
|
1.0
|
O5'
|
N:DC1
|
4.3
|
35.5
|
1.0
|
OP2
|
N:DA2
|
4.3
|
45.1
|
1.0
|
N7
|
N:DG3
|
4.3
|
32.6
|
1.0
|
O
|
N:HOH214
|
4.4
|
47.4
|
1.0
|
C8
|
R:DA2
|
4.6
|
29.7
|
1.0
|
N7
|
R:DG3
|
4.7
|
34.1
|
1.0
|
C8
|
N:DA2
|
4.7
|
37.9
|
1.0
|
C5'
|
R:DC1
|
4.7
|
34.5
|
1.0
|
C6
|
N:DG3
|
4.8
|
31.4
|
1.0
|
C5
|
N:DG3
|
5.0
|
34.6
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 7m0e
Go back to
Magnesium Binding Sites List in 7m0e
Magnesium binding site 6 out
of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg601
b:48.2
occ:1.00
|
O1B
|
D:DUP603
|
1.9
|
41.5
|
1.0
|
O
|
D:HOH707
|
2.0
|
47.8
|
1.0
|
OD1
|
D:ASP427
|
2.0
|
51.7
|
1.0
|
O1A
|
D:DUP603
|
2.1
|
30.9
|
1.0
|
O3G
|
D:DUP603
|
2.1
|
51.9
|
1.0
|
OD2
|
D:ASP429
|
2.2
|
59.2
|
1.0
|
PB
|
D:DUP603
|
3.0
|
45.9
|
1.0
|
CG
|
D:ASP427
|
3.2
|
56.3
|
1.0
|
PA
|
D:DUP603
|
3.3
|
44.1
|
1.0
|
CG
|
D:ASP429
|
3.3
|
61.3
|
1.0
|
PG
|
D:DUP603
|
3.3
|
53.6
|
1.0
|
N3A
|
D:DUP603
|
3.4
|
45.6
|
1.0
|
O3B
|
D:DUP603
|
3.5
|
52.4
|
1.0
|
OD1
|
D:ASP429
|
3.8
|
59.2
|
1.0
|
OD2
|
D:ASP427
|
3.8
|
67.8
|
1.0
|
OG
|
D:SER417
|
3.8
|
63.9
|
1.0
|
O
|
D:ASP427
|
3.9
|
58.0
|
1.0
|
O2G
|
D:DUP603
|
3.9
|
47.5
|
1.0
|
N
|
D:SER417
|
4.0
|
56.1
|
1.0
|
C5'
|
D:DUP603
|
4.0
|
50.3
|
1.0
|
O5'
|
D:DUP603
|
4.1
|
48.4
|
1.0
|
CA
|
D:GLY416
|
4.2
|
58.9
|
1.0
|
C
|
D:ASP427
|
4.3
|
63.6
|
1.0
|
O2B
|
D:DUP603
|
4.3
|
42.9
|
1.0
|
N
|
D:ASP427
|
4.3
|
57.0
|
1.0
|
O2A
|
D:DUP603
|
4.4
|
41.2
|
1.0
|
CB
|
D:ASP427
|
4.4
|
51.4
|
1.0
|
CB
|
D:ASP429
|
4.5
|
62.8
|
1.0
|
O1G
|
D:DUP603
|
4.5
|
53.3
|
1.0
|
CA
|
D:ASP427
|
4.6
|
63.9
|
1.0
|
C
|
D:GLY416
|
4.7
|
56.8
|
1.0
|
CB
|
D:SER417
|
4.7
|
56.5
|
1.0
|
CA
|
D:SER417
|
5.0
|
57.4
|
1.0
|
|
Reference:
A.M.Kaminski,
K.Bebenek,
T.A.Kunkel,
L.C.Pedersen.
Comprehensive Structural Survey of Dna Double-Strand Break Synapsis By Dna Polymerase Lambda To Be Published.
Page generated: Wed Oct 2 23:38:17 2024
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