Magnesium in PDB 1f61: Crystal Structure of Isocitrate Lyase From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of Isocitrate Lyase From Mycobacterium Tuberculosis:
4.1.3.1;

The structure of Crystal Structure of Isocitrate Lyase From Mycobacterium Tuberculosis, PDB code: 1f61 was solved by V.Sharma, S.Sharma, K.H.Hoener Zu Bentrup, J.D.Mckinney, D.G.Russell, W.R.Jacobs Jr., J.C.Sacchettini, Tb Structural Genomics Consortium(Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	130.245, 130.245, 288.405, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 19.1

The binding sites of Magnesium atom in the Crystal Structure of Isocitrate Lyase From Mycobacterium Tuberculosis (pdb code 1f61). 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 Isocitrate Lyase From Mycobacterium Tuberculosis, PDB code: 1f61:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Isocitrate Lyase From Mycobacterium Tuberculosis


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 Isocitrate Lyase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg451 b:31.0 occ:1.00 O A:HOH690 2.2 29.1 1.0 O A:HOH699 2.3 27.0 1.0 OD1 A:ASP108 2.5 26.7 1.0 OE1 A:GLU155 2.5 24.3 1.0 O A:HOH575 2.5 22.4 1.0 OD2 A:ASP108 2.7 25.2 1.0 CG A:ASP108 2.9 26.6 1.0 O A:HOH938 3.4 43.4 1.0 CD A:GLU155 3.5 24.6 1.0 O A:HOH717 3.7 29.9 1.0 OE2 A:GLU155 3.8 24.5 1.0 O A:HOH700 3.9 27.8 1.0 O A:HOH1029 4.0 40.3 1.0 OE2 A:GLU182 4.1 25.4 1.0 O A:HOH613 4.2 23.3 1.0 OE1 A:GLU182 4.2 23.6 1.0 OD2 A:ASP153 4.2 22.4 1.0 O A:HOH963 4.4 49.9 1.0 CB A:ASP108 4.5 24.4 1.0 CD A:GLU182 4.6 25.1 1.0 OD1 A:ASP153 4.6 22.0 1.0 NH1 A:ARG228 4.8 24.8 1.0 CG A:GLU155 4.8 22.5 1.0 CG A:ASP153 4.9 22.4 1.0 O A:HOH741 4.9 30.3 1.0 NH2 A:ARG228 5.0 24.7 1.0 O A:HOH1031 5.0 32.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Isocitrate Lyase From Mycobacterium Tuberculosis


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 Isocitrate Lyase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg452 b:31.6 occ:1.00 O B:HOH635 2.2 23.4 1.0 OD1 B:ASP108 2.3 27.2 1.0 OE1 B:GLU155 2.3 27.1 1.0 O B:HOH595 2.4 26.0 1.0 O B:HOH705 2.5 26.8 1.0 OD2 B:ASP108 2.8 27.6 1.0 CG B:ASP108 2.9 28.2 1.0 CD B:GLU155 3.3 26.4 1.0 OE2 B:GLU155 3.6 24.6 1.0 O B:HOH596 3.7 23.3 1.0 O B:HOH993 3.9 30.8 1.0 O B:HOH1024 4.0 43.5 1.0 O B:HOH543 4.0 24.8 1.0 OD2 B:ASP153 4.2 23.2 1.0 OE2 B:GLU182 4.2 25.8 1.0 OE1 B:GLU182 4.3 25.5 1.0 CB B:ASP108 4.4 26.4 1.0 OD1 B:ASP153 4.5 22.2 1.0 CD B:GLU182 4.7 24.9 1.0 CG B:GLU155 4.7 25.3 1.0 CG B:ASP153 4.8 23.2 1.0 NH1 B:ARG228 4.8 26.2 1.0 N B:TRP93 5.0 22.8 1.0

V.Sharma, S.Sharma, K.Hoener Zu Bentrup, J.D.Mckinney, D.G.Russell, W.R.Jacobs Jr., J.C.Sacchettini. Structure of Isocitrate Lyase, A Persistence Factor of Mycobacterium Tuberculosis. Nat.Struct.Biol. V. 7 663 2000.
ISSN: ISSN 1072-8368
PubMed: 10932251
DOI: 10.1038/77964