Magnesium in PDB 1shz: Crystal Structure of the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera

The structure of Crystal Structure of the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera, PDB code: 1shz was solved by Z.Chen, W.D.Singer, P.C.Sternweis, S.R.Sprang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.49 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	199.747, 105.274, 71.748, 90.00, 96.91, 90.00
R / Rfree (%)	22.9 / 29.7

The structure of Crystal Structure of the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Crystal Structure of the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera (pdb code 1shz). 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 the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera, PDB code: 1shz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera


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 the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg377 b:8.2 occ:1.00 O2B A:GDP475 2.3 35.8 1.0 F3 A:ALF378 2.5 22.8 1.0 OG A:SER62 2.6 44.6 1.0 OG1 A:THR203 2.6 51.4 1.0 CB A:SER62 2.9 30.2 1.0 CB A:THR203 3.1 39.6 1.0 O A:HOH503 3.1 77.4 1.0 F2 A:ALF378 3.3 36.9 1.0 PB A:GDP475 3.5 36.0 1.0 O3B A:GDP475 3.7 45.3 1.0 N A:SER62 3.7 30.9 1.0 AL A:ALF378 3.8 21.6 1.0 CA A:SER62 3.9 32.4 1.0 CG2 A:THR203 3.9 40.6 1.0 OD2 A:ASP222 4.0 58.3 1.0 O2A A:GDP475 4.1 40.4 1.0 O1A A:GDP475 4.2 32.9 1.0 CA A:THR203 4.4 37.7 1.0 OD1 A:ASP222 4.4 74.1 1.0 N A:THR203 4.4 37.6 1.0 PA A:GDP475 4.5 42.7 1.0 O A:VAL223 4.6 34.2 1.0 O3A A:GDP475 4.6 48.6 1.0 O1B A:GDP475 4.6 56.0 1.0 CG A:ASP222 4.6 65.0 1.0 O A:ARG201 4.7 42.1 1.0 CB A:LYS61 4.8 28.6 1.0 C A:LYS61 4.8 32.5 1.0 F4 A:ALF378 4.8 29.9 1.0 O A:HOH543 4.9 50.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera


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 the P115RHOGEF Rgrgs Domain in A Complex with Galpha(13):Galpha(I1) Chimera within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg377 b:9.6 occ:1.00 O2B D:GDP476 2.1 38.3 1.0 OG D:SER62 2.3 27.9 1.0 O D:HOH502 2.3 51.9 1.0 OG1 D:THR203 2.6 34.5 1.0 F3 D:ALF378 2.6 41.9 1.0 CB D:THR203 3.0 38.0 1.0 F2 D:ALF378 3.2 43.3 1.0 CB D:SER62 3.3 27.8 1.0 PB D:GDP476 3.3 28.0 1.0 O3B D:GDP476 3.3 33.2 1.0 AL D:ALF378 3.7 20.8 1.0 O2A D:GDP476 3.8 39.5 1.0 CG2 D:THR203 3.9 30.0 1.0 O1A D:GDP476 4.1 52.8 1.0 N D:SER62 4.1 23.2 1.0 OD2 D:ASP222 4.1 70.0 1.0 N D:THR203 4.1 39.5 1.0 CA D:THR203 4.2 40.6 1.0 PA D:GDP476 4.3 44.6 1.0 O D:ARG201 4.3 52.5 1.0 CA D:SER62 4.3 28.2 1.0 O3A D:GDP476 4.3 44.2 1.0 NZ D:LYS61 4.5 41.1 1.0 O1B D:GDP476 4.5 47.1 1.0 F4 D:ALF378 4.6 34.5 1.0 OD1 D:ASP222 4.7 79.2 1.0 CG D:ASP222 4.8 71.5 1.0 O D:VAL223 4.9 30.0 1.0 CB D:LYS61 4.9 22.8 1.0

Z.Chen, W.D.Singer, P.C.Sternweis, S.R.Sprang. Structure of the P115RHOGEF Rgrgs Domain-GALPHA13/I1 Chimera Complex Suggests Convergent Evolution of A Gtpase Activator. Nat.Struct.Mol.Biol. V. 12 191 2005.
ISSN: ISSN 1545-9993
PubMed: 15665872
DOI: 10.1038/NSMB888