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

Protein crystallography data

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

Other elements in 1shz:

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

Magnesium Binding Sites:

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 1shz

Go back to Magnesium Binding Sites List in 1shz
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 1shz

Go back to Magnesium Binding Sites List in 1shz
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

Reference:

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
Page generated: Tue Aug 13 13:44:22 2024

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