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Magnesium in PDB 2rgn: Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa

Protein crystallography data

The structure of Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa, PDB code: 2rgn was solved by A.Shankaranarayanan, M.R.Nance, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 67.187, 68.056, 138.018, 80.87, 85.16, 87.09
R / Rfree (%) 24.3 / 29.9

Other elements in 2rgn:

The structure of Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa also contains other interesting chemical elements:

Fluorine (F) 8 atoms
Aluminium (Al) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa (pdb code 2rgn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa, PDB code: 2rgn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2rgn

Go back to Magnesium Binding Sites List in 2rgn
Magnesium binding site 1 out of 2 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg362

b:0.2
occ:1.00
F3 A:ALF361 2.0 0.4 1.0
O A:HOH365 2.1 0.6 1.0
O A:HOH364 2.1 0.6 1.0
OG A:SER53 2.2 0.1 1.0
O2B A:GDP360 2.2 0.3 1.0
OG1 A:THR186 2.2 0.8 1.0
CB A:SER53 3.1 0.9 1.0
PB A:GDP360 3.2 1.0 1.0
O3B A:GDP360 3.3 0.9 1.0
AL A:ALF361 3.5 0.8 1.0
O2A A:GDP360 3.5 0.1 1.0
CB A:THR186 3.6 0.3 1.0
F2 A:ALF361 3.6 0.9 1.0
N A:SER53 3.7 0.5 1.0
CA A:SER53 3.9 0.5 1.0
N A:THR186 4.0 0.1 1.0
O3A A:GDP360 4.0 0.3 1.0
PA A:GDP360 4.1 0.2 1.0
F4 A:ALF361 4.3 0.9 1.0
O1A A:GDP360 4.4 0.5 1.0
CA A:THR186 4.4 0.6 1.0
O1B A:GDP360 4.4 0.3 1.0
OD1 A:ASP205 4.5 0.6 1.0
CG2 A:THR186 4.5 0.7 1.0
O A:HOH363 4.5 0.1 1.0
O A:VAL184 4.6 0.0 1.0
NH1 A:ARG183 4.6 0.3 1.0
OD2 A:ASP205 4.7 1.0 1.0
C A:LYS52 4.8 0.3 1.0
C A:PRO185 4.9 0.6 1.0
CB A:LYS52 4.9 0.2 1.0
CA A:PRO185 5.0 0.9 1.0

Magnesium binding site 2 out of 2 in 2rgn

Go back to Magnesium Binding Sites List in 2rgn
Magnesium binding site 2 out of 2 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg362

b:0.4
occ:1.00
F3 D:ALF361 2.0 0.7 1.0
O D:HOH365 2.1 0.1 1.0
O D:HOH364 2.1 0.7 1.0
OG1 D:THR186 2.2 0.9 1.0
O2B D:GDP360 2.2 0.3 1.0
OG D:SER53 2.2 0.9 1.0
O3B D:GDP360 3.2 0.5 1.0
PB D:GDP360 3.3 0.5 1.0
CB D:SER53 3.3 0.4 1.0
CB D:THR186 3.4 0.6 1.0
AL D:ALF361 3.5 0.4 1.0
N D:SER53 3.7 0.6 1.0
OD2 D:ASP205 3.9 0.2 1.0
F2 D:ALF361 3.9 0.9 1.0
OD1 D:ASP205 4.0 0.2 1.0
F4 D:ALF361 4.0 0.7 1.0
CA D:SER53 4.1 0.5 1.0
N D:THR186 4.2 0.1 1.0
O1B D:GDP360 4.2 0.8 1.0
CG2 D:THR186 4.3 0.3 1.0
O2A D:GDP360 4.3 0.7 1.0
CG D:ASP205 4.4 0.6 1.0
CA D:THR186 4.4 0.7 1.0
O3A D:GDP360 4.4 0.6 1.0
CB D:LYS52 4.4 0.7 1.0
O1A D:GDP360 4.5 0.9 1.0
O D:VAL206 4.5 0.7 1.0
CE D:LYS52 4.6 0.2 1.0
O D:HOH363 4.6 0.4 1.0
PA D:GDP360 4.7 0.1 1.0
C D:LYS52 4.7 0.2 1.0

Reference:

S.Lutz, A.Shankaranarayanan, C.Coco, M.Ridilla, M.R.Nance, C.Vettel, D.Baltus, C.R.Evelyn, R.R.Neubig, T.Wieland, J.J.Tesmer. Structure of Galphaq-P63RHOGEF-Rhoa Complex Reveals A Pathway For the Activation of Rhoa By Gpcrs. Science V. 318 1923 2007.
ISSN: ISSN 0036-8075
PubMed: 18096806
DOI: 10.1126/SCIENCE.1147554
Page generated: Mon Dec 14 07:38:35 2020

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