Magnesium in PDB 7uyz: Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg
Enzymatic activity of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg
All present enzymatic activity of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg:
2.7.7.86;
Protein crystallography data
The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg, PDB code: 7uyz
was solved by
S.Wu,
S.B.Gabelli,
J.Sohn,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.85 /
2.49
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.341,
98.515,
142.695,
90,
90,
90
|
R / Rfree (%)
|
21.4 /
25.1
|
Other elements in 7uyz:
The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg
(pdb code 7uyz). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg, PDB code: 7uyz:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 7uyz
Go back to
Magnesium Binding Sites List in 7uyz
Magnesium binding site 1 out
of 4 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg601
b:40.6
occ:1.00
|
O
|
A:HOH725
|
2.1
|
38.8
|
1.0
|
O2G
|
A:GTP605
|
2.1
|
39.4
|
1.0
|
OE1
|
A:GLU211
|
2.2
|
47.6
|
1.0
|
OD2
|
A:ASP213
|
2.2
|
44.5
|
1.0
|
O1B
|
A:GTP605
|
2.2
|
38.2
|
1.0
|
O1A
|
A:GTP605
|
2.3
|
41.6
|
1.0
|
CG
|
A:ASP213
|
3.1
|
41.8
|
1.0
|
CD
|
A:GLU211
|
3.2
|
45.0
|
1.0
|
PB
|
A:GTP605
|
3.2
|
41.1
|
1.0
|
O3A
|
A:GTP605
|
3.3
|
43.9
|
1.0
|
PA
|
A:GTP605
|
3.3
|
43.1
|
1.0
|
PG
|
A:GTP605
|
3.3
|
39.7
|
1.0
|
OD1
|
A:ASP213
|
3.5
|
42.1
|
1.0
|
O3B
|
A:GTP605
|
3.5
|
41.2
|
1.0
|
OE2
|
A:GLU211
|
3.6
|
47.6
|
1.0
|
MG
|
A:MG602
|
3.8
|
43.0
|
1.0
|
OG
|
A:SER199
|
4.0
|
44.6
|
1.0
|
O
|
A:HOH721
|
4.1
|
30.7
|
1.0
|
O1G
|
A:GTP605
|
4.2
|
38.7
|
1.0
|
N
|
A:SER199
|
4.3
|
37.6
|
1.0
|
O2A
|
A:GTP605
|
4.3
|
42.4
|
1.0
|
N2
|
A:G604
|
4.4
|
68.0
|
1.0
|
CG
|
A:GLU211
|
4.4
|
44.4
|
1.0
|
O3G
|
A:GTP605
|
4.4
|
39.7
|
1.0
|
CB
|
A:SER199
|
4.5
|
40.8
|
1.0
|
O
|
A:GLU211
|
4.5
|
38.5
|
1.0
|
O5'
|
A:GTP605
|
4.5
|
48.8
|
1.0
|
CB
|
A:ASP213
|
4.5
|
40.8
|
1.0
|
O2B
|
A:GTP605
|
4.6
|
44.0
|
1.0
|
CB
|
A:GLU211
|
4.6
|
42.3
|
1.0
|
C
|
A:GLU211
|
4.7
|
39.8
|
1.0
|
CA
|
A:GLY198
|
4.8
|
36.5
|
1.0
|
N
|
A:ASP213
|
4.9
|
39.8
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 7uyz
Go back to
Magnesium Binding Sites List in 7uyz
Magnesium binding site 2 out
of 4 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg602
b:43.0
occ:1.00
|
OE2
|
A:GLU211
|
2.0
|
47.6
|
1.0
|
OD2
|
A:ASP307
|
2.0
|
46.8
|
1.0
|
O1A
|
A:GTP605
|
2.0
|
41.6
|
1.0
|
OD1
|
A:ASP213
|
2.4
|
42.1
|
1.0
|
PA
|
A:GTP605
|
3.1
|
43.1
|
1.0
|
CD
|
A:GLU211
|
3.1
|
45.0
|
1.0
|
CG
|
A:ASP307
|
3.3
|
43.1
|
1.0
|
O5'
|
A:GTP605
|
3.4
|
48.8
|
1.0
|
CG
|
A:ASP213
|
3.5
|
41.8
|
1.0
|
OE1
|
A:GLU211
|
3.5
|
47.6
|
1.0
|
O2A
|
A:GTP605
|
3.7
|
42.4
|
1.0
|
MG
|
A:MG601
|
3.8
|
40.6
|
1.0
|
N2
|
A:G604
|
3.8
|
68.0
|
1.0
|
OD2
|
A:ASP213
|
3.9
|
44.5
|
1.0
|
O3'
|
A:GTP605
|
4.0
|
59.6
|
1.0
|
OD1
|
A:ASP307
|
4.1
|
44.9
|
1.0
|
CB
|
A:ASP307
|
4.1
|
42.3
|
1.0
|
CG
|
A:GLU211
|
4.4
|
44.4
|
1.0
|
O3A
|
A:GTP605
|
4.5
|
43.9
|
1.0
|
C2
|
A:G604
|
4.5
|
72.1
|
1.0
|
O2G
|
A:GTP605
|
4.7
|
39.4
|
1.0
|
N3
|
A:G604
|
4.7
|
73.0
|
1.0
|
CB
|
A:ASP213
|
4.8
|
40.8
|
1.0
|
C5'
|
A:GTP605
|
4.8
|
52.3
|
1.0
|
C3'
|
A:GTP605
|
4.9
|
58.7
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 7uyz
Go back to
Magnesium Binding Sites List in 7uyz
Magnesium binding site 3 out
of 4 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg601
b:39.5
occ:1.00
|
O1B
|
C:GTP605
|
2.1
|
38.8
|
1.0
|
O2G
|
C:GTP605
|
2.1
|
38.7
|
1.0
|
O
|
C:HOH721
|
2.1
|
37.0
|
1.0
|
O1A
|
C:GTP605
|
2.1
|
40.5
|
1.0
|
OE1
|
C:GLU211
|
2.2
|
49.7
|
1.0
|
OD2
|
C:ASP213
|
2.2
|
47.9
|
1.0
|
PB
|
C:GTP605
|
3.1
|
38.8
|
1.0
|
CD
|
C:GLU211
|
3.2
|
47.2
|
1.0
|
CG
|
C:ASP213
|
3.2
|
46.6
|
1.0
|
PA
|
C:GTP605
|
3.2
|
42.1
|
1.0
|
O3A
|
C:GTP605
|
3.3
|
42.4
|
1.0
|
PG
|
C:GTP605
|
3.3
|
38.0
|
1.0
|
OD1
|
C:ASP213
|
3.5
|
49.2
|
1.0
|
O3B
|
C:GTP605
|
3.5
|
37.2
|
1.0
|
OE2
|
C:GLU211
|
3.6
|
49.2
|
1.0
|
MG
|
C:MG602
|
3.8
|
42.7
|
1.0
|
O
|
C:HOH703
|
4.1
|
31.9
|
1.0
|
O2A
|
C:GTP605
|
4.1
|
42.4
|
1.0
|
OG
|
C:SER199
|
4.1
|
44.9
|
1.0
|
O1G
|
C:GTP605
|
4.1
|
38.0
|
1.0
|
N2
|
C:G604
|
4.2
|
63.5
|
1.0
|
N
|
C:SER199
|
4.2
|
38.0
|
1.0
|
CG
|
C:GLU211
|
4.4
|
46.7
|
1.0
|
O5'
|
C:GTP605
|
4.4
|
44.3
|
1.0
|
O3G
|
C:GTP605
|
4.5
|
37.5
|
1.0
|
O2B
|
C:GTP605
|
4.5
|
42.2
|
1.0
|
O
|
C:GLU211
|
4.5
|
43.1
|
1.0
|
CB
|
C:SER199
|
4.5
|
41.5
|
1.0
|
CB
|
C:ASP213
|
4.5
|
46.5
|
1.0
|
CB
|
C:GLU211
|
4.6
|
45.3
|
1.0
|
CA
|
C:GLY198
|
4.7
|
37.3
|
1.0
|
C
|
C:GLU211
|
4.7
|
44.7
|
1.0
|
C
|
C:GLY198
|
4.9
|
37.4
|
1.0
|
N
|
C:ASP213
|
4.9
|
45.2
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 7uyz
Go back to
Magnesium Binding Sites List in 7uyz
Magnesium binding site 4 out
of 4 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg602
b:42.7
occ:1.00
|
OD2
|
C:ASP307
|
1.9
|
51.0
|
1.0
|
OD1
|
C:ASP213
|
2.0
|
49.2
|
1.0
|
OE2
|
C:GLU211
|
2.0
|
49.2
|
1.0
|
O1A
|
C:GTP605
|
2.4
|
40.5
|
1.0
|
CD
|
C:GLU211
|
3.1
|
47.2
|
1.0
|
CG
|
C:ASP307
|
3.1
|
48.9
|
1.0
|
CG
|
C:ASP213
|
3.1
|
46.6
|
1.0
|
PA
|
C:GTP605
|
3.2
|
42.1
|
1.0
|
OE1
|
C:GLU211
|
3.5
|
49.7
|
1.0
|
O5'
|
C:GTP605
|
3.6
|
44.3
|
1.0
|
OD2
|
C:ASP213
|
3.6
|
47.9
|
1.0
|
O2A
|
C:GTP605
|
3.7
|
42.4
|
1.0
|
MG
|
C:MG601
|
3.8
|
39.5
|
1.0
|
CB
|
C:ASP307
|
3.9
|
49.1
|
1.0
|
N2
|
C:G604
|
4.0
|
63.5
|
1.0
|
OD1
|
C:ASP307
|
4.0
|
50.8
|
1.0
|
O3'
|
C:GTP605
|
4.3
|
49.4
|
1.0
|
CB
|
C:ASP213
|
4.4
|
46.5
|
1.0
|
CG
|
C:GLU211
|
4.4
|
46.7
|
1.0
|
O3A
|
C:GTP605
|
4.7
|
42.4
|
1.0
|
C2
|
C:G604
|
4.8
|
63.8
|
1.0
|
O2G
|
C:GTP605
|
4.9
|
38.7
|
1.0
|
O
|
C:PHE212
|
4.9
|
45.1
|
1.0
|
N3
|
C:G604
|
5.0
|
65.4
|
1.0
|
|
Reference:
S.Wu,
S.B.Gabelli,
J.S.Sohn.
Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg To Be Published.
Page generated: Thu Oct 3 10:17:55 2024
|