Magnesium in PDB 6eg8: Structure of the Gdp-Bound Gs Heterotrimer
Protein crystallography data
The structure of Structure of the Gdp-Bound Gs Heterotrimer, PDB code: 6eg8
was solved by
D.Hilger,
X.Liu,
P.Aschauer,
B.K.Kobilka,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.43 /
2.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
100.860,
100.810,
179.330,
90.00,
106.18,
90.00
|
R / Rfree (%)
|
21.7 /
26.9
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Structure of the Gdp-Bound Gs Heterotrimer
(pdb code 6eg8). 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 the Gdp-Bound Gs Heterotrimer, PDB code: 6eg8:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 6eg8
Go back to
Magnesium Binding Sites List in 6eg8
Magnesium binding site 1 out
of 4 in the Structure of the Gdp-Bound Gs Heterotrimer
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structure of the Gdp-Bound Gs Heterotrimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg402
b:22.3
occ:1.00
|
O
|
I:HOH504
|
2.1
|
24.2
|
1.0
|
O3B
|
I:GDP401
|
2.2
|
33.2
|
1.0
|
OG
|
I:SER54
|
2.4
|
23.3
|
1.0
|
O
|
I:HOH503
|
2.5
|
27.0
|
1.0
|
OG1
|
I:THR204
|
2.7
|
42.8
|
1.0
|
PB
|
I:GDP401
|
3.4
|
32.0
|
1.0
|
CB
|
I:THR204
|
3.4
|
43.6
|
1.0
|
O1B
|
I:GDP401
|
3.4
|
31.2
|
1.0
|
CB
|
I:SER54
|
3.5
|
24.4
|
1.0
|
O2A
|
I:GDP401
|
3.7
|
19.3
|
1.0
|
OD2
|
I:ASP223
|
3.9
|
52.5
|
1.0
|
N
|
I:THR204
|
3.9
|
43.7
|
1.0
|
NH1
|
I:ARG201
|
4.1
|
25.9
|
1.0
|
O
|
I:VAL202
|
4.2
|
47.1
|
1.0
|
CA
|
I:THR204
|
4.3
|
43.2
|
1.0
|
O2B
|
I:GDP401
|
4.4
|
31.6
|
1.0
|
N
|
I:SER54
|
4.4
|
30.4
|
1.0
|
O3A
|
I:GDP401
|
4.5
|
30.4
|
1.0
|
PA
|
I:GDP401
|
4.5
|
23.6
|
1.0
|
CG2
|
I:THR204
|
4.5
|
44.1
|
1.0
|
CA
|
I:SER54
|
4.6
|
26.5
|
1.0
|
O1A
|
I:GDP401
|
4.7
|
22.5
|
1.0
|
C
|
I:LEU203
|
5.0
|
46.5
|
1.0
|
CZ
|
I:ARG201
|
5.0
|
24.1
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 6eg8
Go back to
Magnesium Binding Sites List in 6eg8
Magnesium binding site 2 out
of 4 in the Structure of the Gdp-Bound Gs Heterotrimer
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structure of the Gdp-Bound Gs Heterotrimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mg402
b:29.6
occ:1.00
|
O
|
J:HOH507
|
2.1
|
30.1
|
1.0
|
O3B
|
J:GDP401
|
2.1
|
28.7
|
1.0
|
OG
|
J:SER54
|
2.2
|
29.4
|
1.0
|
O
|
J:HOH515
|
2.2
|
40.6
|
1.0
|
O
|
J:HOH513
|
2.3
|
27.7
|
1.0
|
OG1
|
J:THR204
|
2.4
|
33.2
|
1.0
|
CB
|
J:THR204
|
3.1
|
33.7
|
1.0
|
PB
|
J:GDP401
|
3.5
|
28.7
|
1.0
|
CB
|
J:SER54
|
3.5
|
30.8
|
1.0
|
O2B
|
J:GDP401
|
3.8
|
29.2
|
1.0
|
N
|
J:THR204
|
3.8
|
34.8
|
1.0
|
OD2
|
J:ASP223
|
3.9
|
46.4
|
1.0
|
CA
|
J:THR204
|
4.1
|
34.8
|
1.0
|
O2A
|
J:GDP401
|
4.1
|
24.8
|
1.0
|
O1B
|
J:GDP401
|
4.2
|
29.2
|
1.0
|
N
|
J:SER54
|
4.3
|
33.0
|
1.0
|
CG2
|
J:THR204
|
4.3
|
33.9
|
1.0
|
OD1
|
J:ASP223
|
4.3
|
47.2
|
1.0
|
O
|
J:VAL202
|
4.4
|
45.6
|
1.0
|
CA
|
J:SER54
|
4.4
|
32.9
|
1.0
|
CG
|
J:ASP223
|
4.5
|
44.9
|
1.0
|
O3A
|
J:GDP401
|
4.6
|
28.6
|
1.0
|
NH1
|
J:ARG201
|
4.6
|
37.0
|
1.0
|
PA
|
J:GDP401
|
4.8
|
25.8
|
1.0
|
O1A
|
J:GDP401
|
4.9
|
26.1
|
1.0
|
NZ
|
J:LYS53
|
4.9
|
37.8
|
1.0
|
C
|
J:LEU203
|
5.0
|
37.0
|
1.0
|
CE
|
J:LYS53
|
5.0
|
37.7
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 6eg8
Go back to
Magnesium Binding Sites List in 6eg8
Magnesium binding site 3 out
of 4 in the Structure of the Gdp-Bound Gs Heterotrimer
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structure of the Gdp-Bound Gs Heterotrimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Mg402
b:26.2
occ:1.00
|
OG
|
K:SER54
|
2.0
|
25.9
|
1.0
|
O1B
|
K:GDP401
|
2.3
|
25.7
|
1.0
|
OG1
|
K:THR204
|
2.5
|
44.0
|
1.0
|
O
|
K:HOH505
|
2.6
|
19.5
|
1.0
|
CB
|
K:SER54
|
2.8
|
25.2
|
1.0
|
O
|
K:HOH503
|
3.0
|
24.3
|
1.0
|
O2A
|
K:GDP401
|
3.1
|
22.9
|
1.0
|
O
|
K:VAL202
|
3.3
|
41.3
|
1.0
|
NH1
|
K:ARG201
|
3.5
|
28.1
|
1.0
|
PB
|
K:GDP401
|
3.6
|
27.0
|
1.0
|
CB
|
K:THR204
|
3.8
|
46.0
|
1.0
|
N
|
K:THR204
|
3.9
|
42.1
|
1.0
|
PA
|
K:GDP401
|
4.0
|
22.3
|
1.0
|
CA
|
K:SER54
|
4.1
|
26.0
|
1.0
|
O3A
|
K:GDP401
|
4.1
|
25.8
|
1.0
|
O1A
|
K:GDP401
|
4.2
|
22.1
|
1.0
|
N
|
K:SER54
|
4.3
|
25.9
|
1.0
|
O2B
|
K:GDP401
|
4.3
|
29.7
|
1.0
|
CA
|
K:THR204
|
4.4
|
45.7
|
1.0
|
C
|
K:VAL202
|
4.4
|
38.2
|
1.0
|
C
|
K:LEU203
|
4.6
|
41.5
|
1.0
|
OD2
|
K:ASP223
|
4.6
|
50.6
|
1.0
|
CA
|
K:LEU203
|
4.6
|
42.3
|
1.0
|
O3B
|
K:GDP401
|
4.7
|
27.7
|
1.0
|
CZ
|
K:ARG201
|
4.8
|
25.4
|
1.0
|
CG2
|
K:THR204
|
4.9
|
46.5
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 6eg8
Go back to
Magnesium Binding Sites List in 6eg8
Magnesium binding site 4 out
of 4 in the Structure of the Gdp-Bound Gs Heterotrimer
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structure of the Gdp-Bound Gs Heterotrimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Mg402
b:19.6
occ:1.00
|
O3B
|
L:GDP401
|
2.0
|
19.2
|
1.0
|
OG
|
L:SER54
|
2.1
|
22.8
|
1.0
|
O
|
L:HOH508
|
2.1
|
20.8
|
1.0
|
O
|
L:HOH507
|
2.4
|
19.1
|
1.0
|
OG1
|
L:THR204
|
2.4
|
33.3
|
1.0
|
CB
|
L:THR204
|
3.2
|
33.9
|
1.0
|
CB
|
L:SER54
|
3.2
|
26.4
|
1.0
|
PB
|
L:GDP401
|
3.3
|
19.2
|
1.0
|
O1B
|
L:GDP401
|
3.4
|
21.4
|
1.0
|
O1A
|
L:GDP401
|
3.7
|
19.3
|
1.0
|
O
|
L:HOH510
|
3.9
|
45.9
|
1.0
|
N
|
L:THR204
|
3.9
|
33.0
|
1.0
|
NH1
|
L:ARG201
|
3.9
|
33.8
|
1.0
|
N
|
L:SER54
|
4.0
|
30.3
|
1.0
|
OD2
|
L:ASP223
|
4.1
|
51.4
|
1.0
|
O
|
L:VAL202
|
4.2
|
39.8
|
1.0
|
CA
|
L:THR204
|
4.2
|
34.6
|
1.0
|
CA
|
L:SER54
|
4.2
|
29.0
|
1.0
|
O2B
|
L:GDP401
|
4.2
|
20.2
|
1.0
|
O3A
|
L:GDP401
|
4.3
|
21.4
|
1.0
|
CG2
|
L:THR204
|
4.3
|
34.1
|
1.0
|
PA
|
L:GDP401
|
4.4
|
19.3
|
1.0
|
O2A
|
L:GDP401
|
4.6
|
19.4
|
1.0
|
C
|
L:LEU203
|
5.0
|
34.7
|
1.0
|
|
Reference:
X.Liu,
X.Xu,
D.Hilger,
P.Aschauer,
J.K.S.Tiemann,
Y.Du,
H.Liu,
K.Hirata,
X.Sun,
R.Guixa-Gonzalez,
J.M.Mathiesen,
P.W.Hildebrand,
B.K.Kobilka.
Structural Insights Into the Process of Gpcr-G Protein Complex Formation. Cell V. 177 1243 2019.
ISSN: ISSN 1097-4172
PubMed: 31080070
DOI: 10.1016/J.CELL.2019.04.021
Page generated: Mon Sep 30 23:57:10 2024
|