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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

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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

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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

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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

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