Chlorine in PDB 7mcj: Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918

The structure of Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918, PDB code: 7mcj was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.19 / 1.80
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	100.85, 100.85, 49.69, 90, 90, 120
R / Rfree (%)	18.9 / 22.1

The structure of Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 (pdb code 7mcj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918, PDB code: 7mcj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:32.6 occ:1.00 O A:HOH482 3.0 38.3 1.0 O A:HOH457 3.1 33.5 1.0 OG1 A:THR33 3.2 27.3 1.0 O A:HOH504 3.5 32.5 1.0 N A:TYR32 3.5 25.4 1.0 CG2 A:THR33 3.7 29.8 1.0 CA A:ALA31 3.8 27.2 1.0 CZ A:PHE52 3.9 25.6 1.0 CD2 A:TYR32 4.0 37.0 1.0 CB A:THR33 4.0 26.0 1.0 CE2 A:TYR32 4.0 35.6 1.0 N A:THR33 4.1 25.9 1.0 C A:ALA31 4.1 27.0 1.0 CB A:ALA31 4.1 27.7 1.0 CG A:TYR32 4.3 33.5 1.0 CZ A:TYR32 4.3 39.7 1.0 CE1 A:PHE52 4.3 25.1 1.0 O A:HOH458 4.4 31.6 1.0 C A:TYR32 4.5 25.5 1.0 CA A:TYR32 4.5 25.3 1.0 CD1 A:TYR32 4.6 38.1 1.0 MG A:MG304 4.6 35.5 1.0 CE1 A:TYR32 4.6 36.3 1.0 CA A:THR33 4.7 26.2 1.0 O A:MET30 4.8 26.5 1.0 O A:ILE135 4.9 30.7 1.0 CG2 A:ILE135 4.9 32.0 1.0 OH A:TYR32 5.0 43.2 1.0 N A:ALA31 5.0 29.2 1.0 CB A:TYR32 5.0 29.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:29.7 occ:1.00 O B:HOH498 3.0 32.3 1.0 O B:HOH462 3.1 29.4 1.0 OG1 B:THR33 3.2 27.1 1.0 N B:TYR32 3.4 25.1 1.0 O B:HOH479 3.6 30.0 1.0 CA B:ALA31 3.6 25.3 1.0 CG2 B:THR33 3.7 28.5 1.0 CB B:ALA31 3.9 28.5 1.0 C B:ALA31 4.0 27.1 1.0 CB B:THR33 4.0 25.4 1.0 CZ B:PHE52 4.0 25.3 1.0 N B:THR33 4.0 24.5 1.0 CD2 B:TYR32 4.0 29.0 1.0 CE2 B:TYR32 4.0 32.4 1.0 CG B:TYR32 4.3 34.7 1.0 CZ B:TYR32 4.4 37.0 1.0 CA B:TYR32 4.4 25.4 1.0 C B:TYR32 4.4 26.2 1.0 CE1 B:PHE52 4.4 23.6 1.0 O B:HOH465 4.5 28.1 1.0 MG B:MG304 4.5 33.2 1.0 CD1 B:TYR32 4.6 34.0 1.0 CE1 B:TYR32 4.6 37.2 1.0 CA B:THR33 4.6 28.2 1.0 O B:MET30 4.7 27.5 1.0 N B:ALA31 4.9 24.5 1.0 CG2 B:ILE135 4.9 25.9 1.0 O B:ILE135 4.9 28.0 1.0 CB B:TYR32 5.0 32.0 1.0

J.Abendroth, D.M.Dranow, G.Kahlert, S.M.Scarry, A.Grzegorzewicz, M.Jackson, J.Aube, D.R.Sherman, B.S.Gold, C.F.Nathan, R.L.Moritz, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 To Be Published.