Aluminium 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
Magnesium	(Mg)	2 atoms

The binding sites of Aluminium 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 Aluminium atom.
In total 2 binding sites of Aluminium 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 Aluminium binding site number: 1; 2;

Aluminium 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 Aluminium with other atoms in the Al 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:Al378 b:21.6 occ:1.00 AL A:ALF378 0.0 21.6 1.0 F4 A:ALF378 1.7 29.9 1.0 F3 A:ALF378 1.7 22.8 1.0 F2 A:ALF378 1.8 36.9 1.0 F1 A:ALF378 1.8 26.2 1.0 O A:HOH543 1.9 50.9 1.0 O3B A:GDP475 2.1 45.3 1.0 PB A:GDP475 3.2 36.0 1.0 O2B A:GDP475 3.6 35.8 1.0 MG A:MG377 3.8 8.2 1.0 O1B A:GDP475 3.8 56.0 1.0 N A:GLY225 3.9 23.8 1.0 N A:GLU58 4.0 37.8 1.0 OE1 A:GLN226 4.0 52.1 1.0 NE2 A:GLN226 4.1 53.6 1.0 NH1 A:ARG200 4.2 33.9 1.0 NZ A:LYS61 4.2 26.2 1.0 CA A:GLY57 4.3 38.3 1.0 NH2 A:ARG200 4.3 31.5 1.0 N A:THR203 4.4 37.6 1.0 O A:THR203 4.4 37.5 1.0 CD A:GLN226 4.4 41.7 1.0 CA A:GLY224 4.5 31.0 1.0 CE A:LYS61 4.5 24.4 1.0 O3A A:GDP475 4.5 48.6 1.0 CB A:THR203 4.6 39.6 1.0 C A:GLY57 4.7 40.8 1.0 C A:GLY224 4.7 29.0 1.0 CZ A:ARG200 4.7 30.3 1.0 CA A:GLY225 4.8 28.4 1.0 CA A:GLU58 4.9 34.5 1.0 O A:VAL223 4.9 34.2 1.0 CA A:THR203 4.9 37.7 1.0

Aluminium 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 Aluminium with other atoms in the Al 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:Al378 b:20.8 occ:1.00 AL D:ALF378 0.0 20.8 1.0 F4 D:ALF378 1.6 34.5 1.0 F3 D:ALF378 1.7 41.9 1.0 F1 D:ALF378 1.7 32.3 1.0 F2 D:ALF378 1.8 43.3 1.0 O D:HOH550 2.0 48.6 1.0 O3B D:GDP476 2.1 33.2 1.0 PB D:GDP476 3.3 28.0 1.0 MG D:MG377 3.7 9.6 1.0 O2B D:GDP476 3.8 38.3 1.0 N D:GLY225 3.8 27.9 1.0 NH2 D:ARG200 3.8 32.3 1.0 NZ D:LYS61 3.8 41.1 1.0 NE2 D:GLN226 3.9 47.8 1.0 O1B D:GDP476 4.0 47.1 1.0 NH1 D:ARG200 4.0 35.5 1.0 N D:GLU58 4.0 34.8 1.0 OE1 D:GLN226 4.1 63.3 1.0 CA D:GLY57 4.2 32.7 1.0 CZ D:ARG200 4.3 28.0 1.0 N D:THR203 4.3 39.5 1.0 CD D:GLN226 4.4 46.0 1.0 CA D:GLY225 4.4 27.4 1.0 CB D:THR203 4.5 38.0 1.0 O3A D:GDP476 4.5 44.2 1.0 O D:THR203 4.5 37.2 1.0 O D:HOH502 4.6 51.9 1.0 C D:GLY57 4.7 33.8 1.0 C D:GLY224 4.7 28.9 1.0 CA D:GLY224 4.7 27.1 1.0 CA D:THR203 4.9 40.6 1.0 CA D:GLU58 5.0 37.4 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