Sodium in PDB 8a1m: Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4

The structure of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4, PDB code: 8a1m was solved by M.De Munnik, P.A.Lang, J.Brem, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.66 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.7, 95.07, 75.45, 90, 92.22, 90
R / Rfree (%)	21.8 / 24.9

The structure of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4 also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Fluorine	(F)	2 atoms

The binding sites of Sodium atom in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4 (pdb code 8a1m). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4, PDB code: 8a1m:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na508 b:101.2 occ:1.00 CB A:ASP56 3.5 158.5 1.0 OD2 A:ASP56 3.8 163.8 1.0 CG A:ASP56 4.1 161.3 1.0 CA A:ASP56 4.8 154.4 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na509 b:78.9 occ:1.00 O A:HOH749 3.4 54.1 1.0 OG1 A:THR320 4.1 68.0 1.0 CD2 A:HIS352 4.3 77.3 1.0 NE2 A:HIS352 4.4 74.3 1.0 CB A:TYR318 4.6 66.1 1.0 O A:HOH777 4.7 59.8 1.0 CB A:THR320 4.7 60.5 1.0 CZ2 A:TRP340 4.7 58.8 1.0 C09 A:KUL501 4.8 63.7 1.0 CG A:TYR318 4.9 64.6 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na505 b:56.7 occ:1.00 O B:ASN127 3.5 42.6 1.0 O B:HOH626 3.5 50.9 1.0 C B:ASN127 3.7 41.9 1.0 O B:ALA90 3.8 42.6 1.0 CB B:ASN127 3.8 42.0 1.0 OG1 B:THR92 3.9 52.9 1.0 N B:ALA128 4.0 43.0 1.0 OG1 B:THR129 4.1 45.7 1.0 C B:ALA90 4.2 42.9 1.0 CA B:ALA128 4.2 42.6 1.0 CB B:ALA90 4.2 50.6 1.0 CG2 B:THR92 4.3 43.1 1.0 CA B:ASN127 4.4 41.7 1.0 N B:THR92 4.4 40.2 1.0 C B:ALA128 4.5 44.6 1.0 N B:THR129 4.5 44.4 1.0 O B:HOH753 4.6 50.1 1.0 CB B:THR92 4.6 43.8 1.0 N B:VAL91 4.7 42.3 1.0 CA B:VAL91 4.7 42.3 1.0 C B:VAL91 4.8 41.8 1.0 CB B:THR129 4.9 44.3 1.0 CA B:ALA90 4.9 44.0 1.0

M.De Munnik, P.A.Lang, J.Brem, C.J.Schofield. Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Maleimide Analogue 4 To Be Published.