Magnesium in PDB 6adg: Crystal Structures of IDH1 R132H in Complex with Ag-881

Enzymatic activity of Crystal Structures of IDH1 R132H in Complex with Ag-881

All present enzymatic activity of Crystal Structures of IDH1 R132H in Complex with Ag-881:
1.1.1.42;

Protein crystallography data

The structure of Crystal Structures of IDH1 R132H in Complex with Ag-881, PDB code: 6adg was solved by R.Ma, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.02 / 3.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 87.965, 197.253, 85.828, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 24.4

Other elements in 6adg:

The structure of Crystal Structures of IDH1 R132H in Complex with Ag-881 also contains other interesting chemical elements:

Fluorine (F) 18 atoms
Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structures of IDH1 R132H in Complex with Ag-881 (pdb code 6adg). 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 Structures of IDH1 R132H in Complex with Ag-881, PDB code: 6adg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6adg

Go back to Magnesium Binding Sites List in 6adg
Magnesium binding site 1 out of 2 in the Crystal Structures of IDH1 R132H in Complex with Ag-881


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of IDH1 R132H in Complex with Ag-881 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:53.2
occ:1.00
CE2 A:TRP205 3.6 38.9 1.0
O A:GLY204 3.6 27.4 1.0
CZ2 A:TRP205 3.6 37.2 1.0
O A:LYS203 3.8 47.1 1.0
CD2 A:TRP205 3.9 36.6 1.0
CH2 A:TRP205 3.9 35.7 1.0
C A:GLY204 3.9 25.2 1.0
NE1 A:TRP205 4.0 37.9 1.0
CZ3 A:TRP205 4.1 35.2 1.0
CE3 A:TRP205 4.1 33.6 1.0
CA A:GLY204 4.2 22.4 1.0
CG A:TRP205 4.5 32.4 1.0
CD1 A:TRP205 4.5 30.2 1.0
N A:TRP205 4.7 25.3 1.0
C A:LYS203 4.8 31.4 1.0
N A:GLY204 5.0 23.6 1.0

Magnesium binding site 2 out of 2 in 6adg

Go back to Magnesium Binding Sites List in 6adg
Magnesium binding site 2 out of 2 in the Crystal Structures of IDH1 R132H in Complex with Ag-881


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of IDH1 R132H in Complex with Ag-881 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:53.2
occ:1.00
O A:LYS321 2.7 38.6 1.0
C A:LYS321 3.7 34.7 1.0
CA A:LYS321 4.0 34.0 1.0
CB A:LYS321 4.3 36.3 1.0
CG A:LYS321 4.4 42.0 1.0
N A:GLY322 4.9 35.8 1.0

Reference:

R.Ma, C.H.Yun. Crystal Structures of Pan-Idh Inhibitor Ag-881 in Complex with Mutant Human IDH1 and IDH2 Biochem. Biophys. Res. V. 503 2912 2018COMMUN..
ISSN: ESSN 1090-2104
PubMed: 30131249
DOI: 10.1016/J.BBRC.2018.08.068
Page generated: Mon Dec 14 22:19:58 2020

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