Magnesium in PDB 6cj4: Crystal Structure of Protein Cite From Mycobacterium Tuberculosis in Complex with Magnesium and Acetoacetate

The structure of Crystal Structure of Protein Cite From Mycobacterium Tuberculosis in Complex with Magnesium and Acetoacetate, PDB code: 6cj4 was solved by A.A.Fedorov, E.V.Fedorov, H.Wang, J.B.Bonanno, L.Carvalho, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.73
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	91.673, 91.673, 221.386, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 20.2

The binding sites of Magnesium atom in the Crystal Structure of Protein Cite From Mycobacterium Tuberculosis in Complex with Magnesium and Acetoacetate (pdb code 6cj4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Protein Cite From Mycobacterium Tuberculosis in Complex with Magnesium and Acetoacetate, PDB code: 6cj4:

Magnesium binding site 1 out of 1 in the Crystal Structure of Protein Cite From Mycobacterium Tuberculosis in Complex with Magnesium and Acetoacetate


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 Protein Cite From Mycobacterium Tuberculosis in Complex with Magnesium and Acetoacetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:23.5 occ:1.00 OD2 A:ASP138 2.0 27.1 1.0 O A:HOH420 2.1 23.3 1.0 O8 A:AAE303 2.1 23.4 1.0 OE1 A:GLU112 2.1 25.3 1.0 O A:HOH410 2.1 23.1 1.0 O1 A:AAE303 2.1 24.6 1.0 CG A:ASP138 3.1 30.3 1.0 C5 A:AAE303 3.1 24.9 1.0 C2 A:AAE303 3.1 27.1 1.0 CD A:GLU112 3.1 28.4 1.0 C4 A:AAE303 3.4 27.1 1.0 OE2 A:GLU112 3.5 22.2 1.0 CB A:ASP138 3.6 24.9 1.0 OD2 A:ASP37 3.9 30.1 1.0 NZ A:LYS92 4.1 28.3 1.0 OD1 A:ASP138 4.1 32.6 1.0 NH1 A:ARG64 4.2 22.1 1.0 O3 A:AAE303 4.2 31.9 1.0 OXT A:ACT302 4.2 29.7 1.0 CG A:GLU112 4.4 23.1 1.0 C9 A:AAE303 4.4 25.5 1.0 CD2 A:LEU110 4.6 18.6 1.0 OE1 A:GLU36 4.6 25.8 1.0 CE A:LYS92 4.6 31.3 1.0 N A:ASP138 4.7 23.9 1.0 CA A:ASP138 4.7 26.1 1.0 CB A:GLU112 4.7 26.7 1.0 CG A:ASP37 4.9 30.5 1.0

H.Wang, A.A.Fedorov, E.V.Fedorov, D.M.Hunt, A.Rodgers, H.L.Douglas, A.Garza-Garcia, J.B.Bonanno, S.C.Almo, L.P.S.De Carvalho. An Essential Bifunctional Enzyme Inmycobacterium Tuberculosisfor Itaconate Dissimilation and Leucine Catabolism. Proc.Natl.Acad.Sci.Usa V. 116 15907 2019.
ISSN: ESSN 1091-6490
PubMed: 31320588
DOI: 10.1073/PNAS.1906606116