Magnesium in PDB 6xaf: 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H

All present enzymatic activity of 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H:
2.7.11.1;

The structure of 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H, PDB code: 6xaf was solved by Q.Q.Hoang, J.Liao, X.Huang, Y.Park, C.X.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.05 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.497, 101.785, 44.527, 90, 101.38, 90
R / Rfree (%)	18 / 22.1

The binding sites of Magnesium atom in the 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H (pdb code 6xaf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H, PDB code: 6xaf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1601 b:28.3 occ:1.00 O3B A:GDP1602 2.0 23.7 1.0 OG1 A:THR1348 2.0 29.1 1.0 O A:HOH1720 2.1 22.7 1.0 O A:HOH1713 2.1 27.9 1.0 O A:HOH1741 2.1 24.8 1.0 O B:HOH1707 2.1 21.8 1.0 CB A:THR1348 3.1 25.6 1.0 PB A:GDP1602 3.3 22.9 1.0 O2B A:GDP1602 3.5 24.6 1.0 N A:THR1348 3.9 26.5 1.0 O B:HOH1733 4.0 31.5 1.0 CA A:THR1348 4.1 24.3 1.0 OD2 B:ASP1394 4.1 30.1 1.0 O2A A:GDP1602 4.1 23.4 1.0 CG2 A:THR1348 4.2 30.2 1.0 OG1 B:THR1368 4.2 33.4 1.0 OD1 B:ASP1394 4.3 28.0 1.0 CB B:THR1368 4.3 42.8 1.0 O3A A:GDP1602 4.3 22.3 1.0 O1B A:GDP1602 4.4 20.1 1.0 CG2 B:THR1368 4.4 45.8 1.0 NZ A:LYS1347 4.4 25.2 1.0 PA A:GDP1602 4.5 23.4 1.0 O1A A:GDP1602 4.6 22.9 1.0 CG B:ASP1394 4.6 33.7 1.0 CB A:LYS1347 4.8 19.2 1.0 O A:HOH1723 4.9 24.5 1.0 C A:LYS1347 5.0 26.4 1.0

Magnesium binding site 2 out of 2 in the 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.9A Crystal Structure of the Gtpase Domain of Parkinson'S Disease- Associated Protein LRRK2 Carrying R1398H within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1601 b:24.9 occ:1.00 O B:HOH1745 2.0 22.6 1.0 OG1 B:THR1348 2.0 25.9 1.0 O B:HOH1725 2.0 26.5 1.0 O1B B:GDP1602 2.1 23.9 1.0 O B:HOH1721 2.1 23.2 1.0 O A:HOH1704 2.2 22.0 1.0 CB B:THR1348 3.2 23.3 1.0 PB B:GDP1602 3.3 24.6 1.0 O3B B:GDP1602 3.6 24.0 1.0 O A:HOH1732 3.9 32.2 1.0 N B:THR1348 3.9 23.1 1.0 CA B:THR1348 4.1 22.4 1.0 O2A B:GDP1602 4.1 28.2 1.0 OD2 A:ASP1394 4.2 27.9 1.0 OD1 A:ASP1394 4.2 29.2 1.0 CG2 B:THR1348 4.2 28.3 1.0 OG1 A:THR1368 4.3 38.7 1.0 O2B B:GDP1602 4.3 23.9 1.0 CB A:THR1368 4.3 44.9 1.0 O3A B:GDP1602 4.4 24.4 1.0 NZ B:LYS1347 4.5 23.7 1.0 CG2 A:THR1368 4.5 37.9 1.0 CG A:ASP1394 4.6 30.3 1.0 PA B:GDP1602 4.6 27.7 1.0 O1A B:GDP1602 4.6 26.5 1.0 CB B:LYS1347 4.9 18.6 1.0 O B:HOH1727 5.0 27.0 1.0 C B:LYS1347 5.0 26.4 1.0

C.X.Wu, J.Liao, Y.Park, N.C.Hoang, V.A.Engel, R.Sanishvili, Y.Takagi, S.M.Johnson, M.Wang, M.Federici, R.J.Nichols, M.R.Cookson, Q.Q.Hoang. Structural Basis For Conformational Plasticity in the Gtpase Domain of the Parkinson'S Disease-Associated Protein LRRK2 To Be Published.