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Magnesium in PDB 1an0: CDC42HS-Gdp Complex

Protein crystallography data

The structure of CDC42HS-Gdp Complex, PDB code: 1an0 was solved by P.Kongsaeree, R.Cerione, J.Clardy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.80
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 99.440, 99.440, 102.670, 90.00, 90.00, 90.00
R / Rfree (%) 22.8 / 34.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the CDC42HS-Gdp Complex (pdb code 1an0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the CDC42HS-Gdp Complex, PDB code: 1an0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1an0

Go back to Magnesium Binding Sites List in 1an0
Magnesium binding site 1 out of 2 in the CDC42HS-Gdp Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CDC42HS-Gdp Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:16.6
occ:1.00
O2B A:GDP200 2.2 16.6 1.0
OG1 A:THR17 2.4 22.8 1.0
PB A:GDP200 3.3 16.6 1.0
O1B A:GDP200 3.5 16.6 1.0
CB A:THR17 3.6 22.8 1.0
CE1 A:PHE37 4.2 9.4 1.0
N A:THR17 4.2 23.6 1.0
OD2 A:ASP57 4.4 2.0 1.0
O A:THR58 4.4 2.0 1.0
O3B A:GDP200 4.4 16.6 1.0
CA A:THR17 4.5 23.6 1.0
OD1 A:ASP57 4.5 2.0 1.0
CD1 A:PHE37 4.6 9.4 1.0
O3A A:GDP200 4.6 16.6 1.0
CG2 A:THR17 4.7 22.8 1.0
CE A:LYS16 4.7 19.1 1.0
NZ A:LYS16 4.8 19.1 1.0
CG A:ASP57 4.8 2.0 1.0
PA A:GDP200 4.9 16.6 1.0
CB A:LYS16 4.9 19.1 1.0
O1A A:GDP200 4.9 16.6 1.0

Magnesium binding site 2 out of 2 in 1an0

Go back to Magnesium Binding Sites List in 1an0
Magnesium binding site 2 out of 2 in the CDC42HS-Gdp Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of CDC42HS-Gdp Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg701

b:30.2
occ:1.00
O2B B:GDP700 2.2 30.2 1.0
OG1 B:THR17 2.7 41.4 1.0
O3B B:GDP700 3.0 30.2 1.0
PB B:GDP700 3.2 30.2 1.0
CB B:THR17 3.6 41.4 1.0
O B:THR35 3.7 73.6 1.0
N B:THR17 4.3 29.0 1.0
O1B B:GDP700 4.3 30.2 1.0
C B:THR35 4.3 89.4 1.0
O3A B:GDP700 4.4 30.2 1.0
OD1 B:ASP57 4.5 28.5 1.0
O1A B:GDP700 4.5 30.2 1.0
CA B:THR17 4.5 29.0 1.0
O B:PRO34 4.5 23.4 1.0
CA B:THR35 4.6 89.4 1.0
CG2 B:THR17 4.7 41.4 1.0
PA B:GDP700 4.7 30.2 1.0
O B:HOH857 4.9 41.8 1.0

Reference:

P.Kongsaeree, R.A.Cerione, J.C.Clardy. The Structure Determination of CDC42HS and Gdp Complex To Be Published.
Page generated: Tue Aug 13 02:06:47 2024

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