Sodium in PDB 8a1n: Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Fumaryl Amide Analogue 13

The structure of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Fumaryl Amide Analogue 13, PDB code: 8a1n 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)	75.29 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.929, 94.633, 75.356, 90, 92.35, 90
R / Rfree (%)	19.3 / 23.9

The structure of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Fumaryl Amide Analogue 13 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Fumaryl Amide Analogue 13 (pdb code 8a1n). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Fumaryl Amide Analogue 13, PDB code: 8a1n:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Fumaryl Amide Analogue 13


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 Fumaryl Amide Analogue 13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na505 b:54.4 occ:1.00 OH A:TYR124 3.3 42.1 1.0 ND2 A:ASN95 3.4 57.9 1.0 CE1 A:TYR124 3.8 41.4 1.0 CZ A:TYR124 4.1 40.6 1.0 O A:HOH828 4.1 52.6 1.0 CG2 A:VAL101 4.1 46.6 1.0 CG A:ASN95 4.4 61.7 1.0 CB A:ASN95 4.6 56.9 1.0 O A:HOH674 4.7 56.3 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Fumaryl Amide Analogue 13


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 Fumaryl Amide Analogue 13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na506 b:49.5 occ:1.00 OG1 A:THR307 3.4 49.1 1.0 N A:ASP304 3.4 42.0 1.0 O A:ASP304 3.7 39.5 1.0 OH A:TYR308 3.9 56.8 1.0 O A:ILE302 3.9 39.6 1.0 CE2 A:TYR308 4.1 54.6 1.0 O A:HOH889 4.1 47.9 1.0 CG2 A:THR307 4.1 51.5 1.0 CA A:MET303 4.1 39.1 1.0 C A:MET303 4.3 42.0 1.0 CA A:ASP304 4.3 42.6 1.0 CB A:THR307 4.3 48.6 1.0 CZ A:TYR308 4.3 51.3 1.0 C A:ASP304 4.3 41.4 1.0 CB A:ASP304 4.5 43.6 1.0 SD A:MET303 4.7 47.3 1.0 C A:ILE302 4.9 43.6 1.0 N A:MET303 5.0 35.8 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 Fumaryl Amide Analogue 13 To Be Published.