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Magnesium in PDB 6ovf: Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03

Protein crystallography data

The structure of Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03, PDB code: 6ovf was solved by M.Chavez, D.R.Madden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.85 / 1.95
Space group P 3 2 1
Cell size a, b, c (Å), α, β, γ (°) 102.644, 102.644, 80.202, 90.00, 90.00, 120.00
R / Rfree (%) 17.5 / 20.7

Other elements in 6ovf:

The structure of Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03 also contains other interesting chemical elements:

Nickel (Ni) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03 (pdb code 6ovf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03, PDB code: 6ovf:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 6ovf

Go back to Magnesium Binding Sites List in 6ovf
Magnesium binding site 1 out of 3 in the Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03


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 Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:37.4
occ:1.00
O A:HOH406 2.0 38.8 0.3
O A:HOH385 2.1 45.3 0.5
OD2 A:ASP59 2.2 44.8 1.0
CG A:ASP59 3.2 35.2 1.0
OD1 A:ASP59 3.5 28.1 1.0
O A:HOH405 3.9 50.8 1.0
O A:HOH320 4.1 39.2 1.0
O A:HOH377 4.3 35.5 1.0
CB A:ASP59 4.5 29.3 1.0
O A:HOH390 4.6 36.5 1.0

Magnesium binding site 2 out of 3 in 6ovf

Go back to Magnesium Binding Sites List in 6ovf
Magnesium binding site 2 out of 3 in the Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03


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 Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:26.5
occ:1.00
OE1 B:GLU141 1.8 60.5 1.0
O B:HOH375 1.8 37.7 1.0
O B:HOH305 1.9 51.5 1.0
O B:HOH301 2.1 44.4 1.0
NE2 B:HIS144 2.3 31.5 1.0
O B:HOH304 2.3 61.3 1.0
CD B:GLU141 2.5 62.9 1.0
OE2 B:GLU141 2.5 73.7 1.0
CD2 B:HIS144 3.1 29.2 1.0
CE1 B:HIS144 3.3 28.6 1.0
N B:GLY142 3.8 60.1 1.0
CG B:GLU141 3.9 61.6 1.0
CA B:GLU141 4.3 47.7 1.0
CG B:HIS144 4.3 28.6 1.0
ND1 B:HIS144 4.4 29.5 1.0
O B:PRO61 4.4 30.6 1.0
CB B:GLU141 4.5 55.5 1.0
C B:GLU141 4.6 50.4 1.0
CA B:GLY142 4.7 55.9 1.0
CA B:ASP62 4.8 26.2 1.0
OD1 B:ASP62 5.0 46.4 1.0
N B:ALA63 5.0 22.5 1.0

Magnesium binding site 3 out of 3 in 6ovf

Go back to Magnesium Binding Sites List in 6ovf
Magnesium binding site 3 out of 3 in the Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:13.4
occ:0.33
O B:HOH359 1.8 58.1 0.3
O B:HOH353 2.0 42.2 0.3
NE2 B:HIS89 2.3 60.8 0.8
CE1 B:HIS89 3.1 70.3 0.8
CD2 B:HIS89 3.3 67.0 0.8
O B:HOH344 3.3 71.2 1.0
ND1 B:HIS89 4.3 71.5 0.8
CG B:HIS89 4.4 65.9 0.8
O B:GLY87 4.5 78.6 1.0

Reference:

M.Chavez, D.R.Madden. Crystal Structure of the Disabled-2 (DAB2) Dab Homology Domain in Complex with Peptide STA03 To Be Published.
Page generated: Tue Oct 1 13:41:26 2024

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