Sodium in PDB 3knt: Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine
Enzymatic activity of Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine
All present enzymatic activity of Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine:
4.2.99.18;
Protein crystallography data
The structure of Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine, PDB code: 3knt
was solved by
F.Faucher,
S.Doublie,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.80 /
2.70
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.800,
150.030,
90.270,
90.00,
107.53,
90.00
|
R / Rfree (%)
|
18.8 /
22.5
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine
(pdb code 3knt). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine, PDB code: 3knt:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 3knt
Go back to
Sodium Binding Sites List in 3knt
Sodium binding site 1 out
of 4 in the Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na208
b:58.4
occ:1.00
|
O
|
A:ILE123
|
2.2
|
47.2
|
1.0
|
O
|
A:VAL120
|
2.3
|
46.8
|
1.0
|
O
|
A:ILE126
|
2.3
|
44.9
|
1.0
|
OP1
|
E:DC26
|
2.9
|
44.4
|
1.0
|
C
|
A:ILE123
|
3.3
|
46.2
|
1.0
|
C
|
A:ILE126
|
3.3
|
40.4
|
1.0
|
O
|
A:HOH215
|
3.4
|
53.9
|
1.0
|
C
|
A:VAL120
|
3.4
|
49.3
|
1.0
|
OP2
|
E:DC26
|
3.5
|
43.3
|
1.0
|
P
|
E:DC26
|
3.6
|
48.7
|
1.0
|
N
|
A:ILE126
|
3.8
|
44.5
|
1.0
|
CA
|
A:ILE126
|
4.0
|
39.9
|
1.0
|
CA
|
A:LYS124
|
4.0
|
47.6
|
1.0
|
N
|
A:LYS124
|
4.0
|
44.8
|
1.0
|
CA
|
A:VAL120
|
4.1
|
46.5
|
1.0
|
N
|
A:GLY125
|
4.2
|
47.5
|
1.0
|
C
|
A:LYS124
|
4.2
|
46.8
|
1.0
|
N
|
A:GLY127
|
4.3
|
41.7
|
1.0
|
O3'
|
E:DT25
|
4.3
|
50.0
|
1.0
|
CB
|
A:ILE126
|
4.3
|
42.9
|
1.0
|
N
|
A:ILE123
|
4.4
|
50.8
|
1.0
|
CA
|
A:ILE123
|
4.4
|
46.5
|
1.0
|
CG1
|
A:VAL120
|
4.5
|
46.7
|
1.0
|
N
|
A:ARG121
|
4.5
|
50.9
|
1.0
|
O
|
A:LEU119
|
4.5
|
48.4
|
1.0
|
CA
|
A:GLY127
|
4.6
|
42.7
|
1.0
|
CA
|
A:ARG121
|
4.8
|
56.2
|
1.0
|
C
|
A:GLY125
|
4.8
|
47.6
|
1.0
|
O
|
A:LYS124
|
4.9
|
47.1
|
1.0
|
CB
|
A:VAL120
|
5.0
|
46.6
|
1.0
|
CB
|
A:ILE123
|
5.0
|
44.8
|
1.0
|
O5'
|
E:DC26
|
5.0
|
52.9
|
1.0
|
|
Sodium binding site 2 out
of 4 in 3knt
Go back to
Sodium Binding Sites List in 3knt
Sodium binding site 2 out
of 4 in the Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na208
b:51.5
occ:1.00
|
O
|
B:ILE126
|
2.4
|
55.7
|
1.0
|
O
|
B:ILE123
|
2.5
|
50.5
|
1.0
|
O
|
B:VAL120
|
2.6
|
57.2
|
1.0
|
OP1
|
G:DC26
|
2.9
|
56.4
|
1.0
|
C
|
B:ILE123
|
3.4
|
54.2
|
1.0
|
C
|
B:VAL120
|
3.5
|
59.0
|
1.0
|
C
|
B:ILE126
|
3.5
|
51.5
|
1.0
|
N
|
B:ILE126
|
3.9
|
50.6
|
1.0
|
P
|
G:DC26
|
3.9
|
55.5
|
1.0
|
CA
|
B:LYS124
|
4.0
|
53.9
|
1.0
|
N
|
B:LYS124
|
4.0
|
56.7
|
1.0
|
CA
|
B:ILE126
|
4.2
|
47.2
|
1.0
|
N
|
B:GLY125
|
4.2
|
54.3
|
1.0
|
OP2
|
G:DC26
|
4.2
|
59.6
|
1.0
|
N
|
B:ILE123
|
4.3
|
52.3
|
1.0
|
CA
|
B:VAL120
|
4.3
|
57.8
|
1.0
|
N
|
B:ARG121
|
4.3
|
56.7
|
1.0
|
CA
|
B:ILE123
|
4.4
|
51.4
|
1.0
|
O3'
|
G:DT25
|
4.4
|
57.3
|
1.0
|
O
|
B:LEU119
|
4.4
|
55.4
|
1.0
|
CA
|
B:ARG121
|
4.5
|
57.6
|
1.0
|
O
|
B:HOH214
|
4.5
|
56.4
|
1.0
|
C
|
B:LYS124
|
4.5
|
53.3
|
1.0
|
CB
|
B:ILE126
|
4.6
|
49.3
|
1.0
|
N
|
B:GLY127
|
4.6
|
48.4
|
1.0
|
C
|
B:ARG121
|
4.8
|
59.0
|
1.0
|
C
|
B:GLY125
|
4.9
|
52.8
|
1.0
|
N
|
B:ASN122
|
4.9
|
57.9
|
1.0
|
CA
|
B:GLY127
|
5.0
|
47.3
|
1.0
|
CG1
|
B:VAL120
|
5.0
|
54.5
|
1.0
|
|
Sodium binding site 3 out
of 4 in 3knt
Go back to
Sodium Binding Sites List in 3knt
Sodium binding site 3 out
of 4 in the Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na208
b:57.8
occ:1.00
|
O
|
C:VAL120
|
2.3
|
50.6
|
1.0
|
O
|
C:ILE123
|
2.3
|
52.7
|
1.0
|
O
|
C:ILE126
|
2.3
|
45.6
|
1.0
|
OP1
|
I:DC26
|
2.3
|
52.0
|
1.0
|
P
|
I:DC26
|
3.3
|
47.0
|
1.0
|
C
|
C:ILE123
|
3.3
|
50.7
|
1.0
|
OP2
|
I:DC26
|
3.4
|
50.5
|
1.0
|
O
|
C:HOH215
|
3.4
|
53.0
|
1.0
|
C
|
C:ILE126
|
3.4
|
44.0
|
1.0
|
C
|
C:VAL120
|
3.5
|
52.2
|
1.0
|
N
|
C:ILE126
|
3.9
|
45.9
|
1.0
|
N
|
C:LYS124
|
4.0
|
49.3
|
1.0
|
CA
|
C:LYS124
|
4.1
|
52.8
|
1.0
|
O3'
|
I:DT25
|
4.1
|
51.3
|
1.0
|
CA
|
C:ILE126
|
4.1
|
42.0
|
1.0
|
CA
|
C:VAL120
|
4.2
|
48.0
|
1.0
|
N
|
C:GLY125
|
4.3
|
48.3
|
1.0
|
N
|
C:ILE123
|
4.3
|
50.6
|
1.0
|
CA
|
C:ILE123
|
4.4
|
48.3
|
1.0
|
N
|
C:GLY127
|
4.5
|
42.2
|
1.0
|
C
|
C:LYS124
|
4.5
|
51.7
|
1.0
|
N
|
C:ARG121
|
4.5
|
51.8
|
1.0
|
CB
|
C:ILE126
|
4.6
|
44.6
|
1.0
|
O5'
|
I:DC26
|
4.6
|
52.5
|
1.0
|
O
|
C:LEU119
|
4.6
|
49.4
|
1.0
|
O
|
C:ARG121
|
4.6
|
55.3
|
1.0
|
CG1
|
C:VAL120
|
4.7
|
49.1
|
1.0
|
C
|
C:ARG121
|
4.7
|
53.1
|
1.0
|
CA
|
C:ARG121
|
4.8
|
48.6
|
1.0
|
CA
|
C:GLY127
|
4.8
|
45.1
|
1.0
|
C
|
C:GLY125
|
5.0
|
47.4
|
1.0
|
|
Sodium binding site 4 out
of 4 in 3knt
Go back to
Sodium Binding Sites List in 3knt
Sodium binding site 4 out
of 4 in the Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of Methanocaldococcus Jannaschii 8-Oxoguanine Glycosylase/Lyase in Complex with 15MER Dna Containing 8-Oxoguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na208
b:47.9
occ:1.00
|
O
|
D:VAL120
|
2.2
|
44.4
|
1.0
|
OP1
|
K:DC26
|
2.2
|
44.7
|
1.0
|
O
|
D:ILE123
|
2.3
|
47.5
|
1.0
|
O
|
D:ILE126
|
2.3
|
49.5
|
1.0
|
P
|
K:DC26
|
3.3
|
46.8
|
1.0
|
C
|
D:VAL120
|
3.3
|
47.6
|
1.0
|
C
|
D:ILE126
|
3.3
|
43.4
|
1.0
|
C
|
D:ILE123
|
3.3
|
48.0
|
1.0
|
O
|
K:HOH1
|
3.5
|
46.2
|
1.0
|
OP2
|
K:DC26
|
3.5
|
50.8
|
1.0
|
N
|
D:ILE126
|
3.7
|
46.3
|
1.0
|
CA
|
D:ILE126
|
4.0
|
45.1
|
1.0
|
CA
|
D:VAL120
|
4.0
|
45.7
|
1.0
|
N
|
D:LYS124
|
4.1
|
47.6
|
1.0
|
CA
|
D:LYS124
|
4.1
|
54.2
|
1.0
|
N
|
D:GLY125
|
4.1
|
48.5
|
1.0
|
O3'
|
K:DT25
|
4.3
|
48.8
|
1.0
|
O
|
D:LEU119
|
4.3
|
52.2
|
1.0
|
N
|
D:ILE123
|
4.3
|
53.0
|
1.0
|
N
|
D:ARG121
|
4.4
|
51.9
|
1.0
|
N
|
D:GLY127
|
4.4
|
44.6
|
1.0
|
CA
|
D:ILE123
|
4.4
|
48.5
|
1.0
|
C
|
D:LYS124
|
4.4
|
53.0
|
1.0
|
CB
|
D:ILE126
|
4.4
|
44.3
|
1.0
|
O5'
|
K:DC26
|
4.4
|
46.2
|
1.0
|
CG1
|
D:VAL120
|
4.5
|
44.1
|
1.0
|
CA
|
D:ARG121
|
4.6
|
57.0
|
1.0
|
CA
|
D:GLY127
|
4.7
|
43.8
|
1.0
|
C
|
D:ARG121
|
4.7
|
57.9
|
1.0
|
C
|
D:GLY125
|
4.8
|
48.8
|
1.0
|
CB
|
D:VAL120
|
4.9
|
45.5
|
1.0
|
|
Reference:
F.Faucher,
S.S.Wallace,
S.Doublie.
The C-Terminal Lysine of OGG2 Dna Glycosylases Is A Major Molecular Determinant For Guanine/8-Oxoguanine Distinction. J.Mol.Biol. V. 397 46 2010.
ISSN: ISSN 0022-2836
PubMed: 20083120
DOI: 10.1016/J.JMB.2010.01.024
Page generated: Mon Oct 7 11:13:52 2024
|