Magnesium in PDB 4m35: Crystal Structure of Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis

The structure of Crystal Structure of Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis, PDB code: 4m35 was solved by S.M.Williams, A.V.Chandran, M.S.Vijayabaskar, S.Roy, H.Balaram, S.Vishveshwara, M.Vijayan, D.Chatterji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.05
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	90.230, 90.230, 420.312, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 20.6

The structure of Crystal Structure of Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis (pdb code 4m35). 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 Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis, PDB code: 4m35:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis


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 Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:8.1 occ:0.33 OD1 A:ASN48 2.0 4.8 1.0 OD2 A:ASP51 2.1 7.4 1.0 CG A:ASP51 3.1 6.9 1.0 CG A:ASN48 3.1 6.2 1.0 ND2 A:ASN48 3.6 4.9 1.0 CB A:ASP51 3.7 6.9 1.0 OD1 A:ASP51 4.0 6.7 1.0 CB A:ASN48 4.3 6.6 1.0 N A:ASP51 4.5 6.6 1.0 CA A:ASN48 4.6 6.8 1.0 CA A:ASP51 4.7 6.7 1.0 O A:HOH396 4.9 6.5 0.3

Magnesium binding site 2 out of 2 in the Crystal Structure of Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis


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 Gated-Pore Mutant H126/141D of Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:8.2 occ:1.00 OD1 C:ASN48 2.0 8.9 1.0 OD1 B:ASN48 2.0 8.3 1.0 OD2 C:ASP51 2.0 9.6 1.0 OD2 B:ASP51 2.1 9.5 1.0 CG C:ASP51 3.0 9.9 1.0 CG B:ASP51 3.0 9.8 1.0 CG C:ASN48 3.1 9.4 1.0 CG B:ASN48 3.1 8.7 1.0 ND2 C:ASN48 3.6 8.4 1.0 CB C:ASP51 3.6 9.7 1.0 ND2 B:ASN48 3.6 7.7 1.0 CB B:ASP51 3.7 9.9 1.0 OD1 C:ASP51 3.9 10.7 1.0 OD1 B:ASP51 3.9 10.8 1.0 CB C:ASN48 4.3 9.7 1.0 CB B:ASN48 4.3 9.0 1.0 O C:HOH345 4.4 13.4 1.0 N B:ASP51 4.5 9.7 1.0 N C:ASP51 4.6 9.4 1.0 CA B:ASN48 4.6 9.2 1.0 CA C:ASN48 4.7 9.7 1.0 CA C:ASP51 4.7 9.6 1.0 CA B:ASP51 4.7 9.8 1.0

S.M.Williams, A.V.Chandran, M.S.Vijayabaskar, S.Roy, H.Balaram, S.Vishveshwara, M.Vijayan, D.Chatterji. A Histidine Aspartate Ionic Lock Gates the Iron Passage in Miniferritins From Mycobacterium Smegmatis J.Biol.Chem. V. 289 11042 2014.
ISSN: ISSN 0021-9258
PubMed: 24573673
DOI: 10.1074/JBC.M113.524421