Chlorine in PDB 2wgs: Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.:
6.3.1.2;

The structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor., PDB code: 2wgs was solved by M.T.Nilsson, W.W.Krajewski, T.A.Jones, S.L.Mowbray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.95 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	134.950, 203.180, 230.200, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 24.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. (pdb code 2wgs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 36 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor., PDB code: 2wgs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:49.7 occ:1.00 CL1 A:1AZ501 0.0 49.7 1.0 C1 A:1AZ501 1.8 48.7 1.0 C18 A:1AZ501 2.8 48.5 1.0 C2 A:1AZ501 2.8 48.5 1.0 CL2 A:1AZ501 3.1 49.9 1.0 C17 A:1AZ501 4.1 48.6 1.0 C3 A:1AZ501 4.1 48.7 1.0 CB A:LYS361 4.1 57.1 1.0 CH2 A:TRP282 4.4 43.1 1.0 CD A:LYS361 4.5 57.5 1.0 CZ2 A:TRP282 4.5 42.6 1.0 C16 A:1AZ501 4.6 49.0 1.0 CZ A:PHE232 4.7 33.5 1.0 O A:LYS361 4.9 56.0 1.0 CG A:LYS361 4.9 57.5 1.0

Chlorine binding site 2 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


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 Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:49.9 occ:1.00 CL2 A:1AZ501 0.0 49.9 1.0 C18 A:1AZ501 1.8 48.5 1.0 C1 A:1AZ501 2.7 48.7 1.0 C17 A:1AZ501 2.8 48.6 1.0 CL1 A:1AZ501 3.1 49.7 1.0 CH2 A:TRP282 3.7 43.1 1.0 C2 A:1AZ501 4.0 48.5 1.0 CZ2 A:TRP282 4.0 42.6 1.0 C16 A:1AZ501 4.0 49.0 1.0 CZ3 A:TRP282 4.1 43.0 1.0 CZ A:PHE232 4.4 33.5 1.0 C3 A:1AZ501 4.5 48.7 1.0 CE2 A:TRP282 4.6 42.6 1.0 CE1 A:PHE232 4.7 33.6 1.0 CE3 A:TRP282 4.7 43.0 1.0 OH A:TYR129 4.8 36.8 1.0 CZ A:TYR129 4.9 37.0 1.0 CE2 A:TYR129 4.9 36.9 1.0 CD2 A:TRP282 4.9 42.5 1.0

Chlorine binding site 3 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:57.9 occ:1.00 N A:SER424 3.2 39.1 1.0 O A:HOH2117 3.2 44.3 1.0 N A:LEU423 3.5 42.4 1.0 OG A:SER424 3.7 37.9 1.0 CB A:LEU423 3.7 40.4 1.0 CB A:SER424 3.7 38.3 1.0 CA A:LEU423 3.9 40.6 1.0 CG1 A:ILE460 4.0 35.9 1.0 C A:LEU423 4.0 40.1 1.0 OE1 A:GLN422 4.0 55.9 1.0 CG2 A:ILE460 4.0 35.5 1.0 CA A:SER424 4.0 38.4 1.0 CB A:GLN422 4.2 47.0 1.0 C A:GLN422 4.3 44.5 1.0 CG2 A:VAL324 4.4 27.2 1.0 CB A:ILE460 4.5 36.9 1.0 CA A:GLN422 4.6 46.4 1.0 CG1 A:VAL324 4.6 27.3 1.0 CG A:LEU423 4.8 40.1 1.0 CA A:ILE460 4.8 37.0 1.0 CD1 A:ILE460 4.8 35.1 1.0 CD A:GLN422 4.9 53.9 1.0 CB A:VAL324 5.0 28.6 1.0

Chlorine binding site 4 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:50.2 occ:1.00 CL1 B:1AZ501 0.0 50.2 1.0 C1 B:1AZ501 1.8 48.7 1.0 C18 B:1AZ501 2.7 48.5 1.0 C2 B:1AZ501 2.7 48.4 1.0 CL2 B:1AZ501 3.1 49.7 1.0 C3 B:1AZ501 4.0 48.7 1.0 C17 B:1AZ501 4.0 48.6 1.0 CB B:LYS361 4.1 57.1 1.0 CH2 B:TRP282 4.4 43.0 1.0 CD B:LYS361 4.5 57.5 1.0 CZ2 B:TRP282 4.5 42.6 1.0 C16 B:1AZ501 4.5 48.9 1.0 CZ B:PHE232 4.7 33.5 1.0 O B:LYS361 4.8 55.9 1.0 CG B:LYS361 4.9 57.4 1.0 C B:LYS361 5.0 56.1 1.0

Chlorine binding site 5 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:49.7 occ:1.00 CL2 B:1AZ501 0.0 49.7 1.0 C18 B:1AZ501 1.8 48.5 1.0 C1 B:1AZ501 2.7 48.7 1.0 C17 B:1AZ501 2.8 48.6 1.0 CL1 B:1AZ501 3.1 50.2 1.0 CH2 B:TRP282 3.8 43.0 1.0 C2 B:1AZ501 4.0 48.4 1.0 C16 B:1AZ501 4.0 48.9 1.0 CZ2 B:TRP282 4.1 42.6 1.0 CZ3 B:TRP282 4.2 42.9 1.0 CZ B:PHE232 4.4 33.5 1.0 C3 B:1AZ501 4.5 48.7 1.0 CE1 B:PHE232 4.6 33.7 1.0 CE2 B:TRP282 4.7 42.5 1.0 CE3 B:TRP282 4.8 42.9 1.0 OH B:TYR129 4.9 36.5 1.0 CE2 B:TYR129 4.9 36.8 1.0 CZ B:TYR129 4.9 36.9 1.0 CD2 B:TRP282 5.0 42.6 1.0

Chlorine binding site 6 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:57.8 occ:1.00 O B:HOH2121 3.2 44.2 1.0 N B:SER424 3.2 39.1 1.0 N B:LEU423 3.5 42.4 1.0 OG B:SER424 3.7 37.8 1.0 CB B:LEU423 3.8 40.4 1.0 CB B:SER424 3.8 38.3 1.0 OE1 B:GLN422 3.8 56.0 1.0 CA B:LEU423 3.9 40.6 1.0 CB B:GLN422 4.0 46.9 1.0 C B:LEU423 4.0 40.0 1.0 CA B:SER424 4.1 38.5 1.0 CG1 B:ILE460 4.1 36.0 1.0 C B:GLN422 4.2 44.5 1.0 CG2 B:ILE460 4.2 35.5 1.0 CA B:GLN422 4.5 46.3 1.0 CG2 B:VAL324 4.6 27.0 1.0 CG1 B:VAL324 4.6 27.4 1.0 CB B:ILE460 4.7 36.9 1.0 CD B:GLN422 4.8 53.9 1.0 CG B:LEU423 4.9 40.1 1.0 CG B:GLN422 4.9 49.6 1.0 CD1 B:ILE460 5.0 35.1 1.0 CA B:ILE460 5.0 37.1 1.0

Chlorine binding site 7 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:50.0 occ:1.00 CL1 C:1AZ501 0.0 50.0 1.0 C1 C:1AZ501 1.8 48.6 1.0 C2 C:1AZ501 2.7 48.5 1.0 C18 C:1AZ501 2.8 48.5 1.0 CL2 C:1AZ501 3.1 50.0 1.0 C3 C:1AZ501 4.0 48.7 1.0 C17 C:1AZ501 4.1 48.6 1.0 CB C:LYS361 4.1 57.2 1.0 CH2 C:TRP282 4.4 43.1 1.0 CD C:LYS361 4.5 57.6 1.0 CZ2 C:TRP282 4.5 42.7 1.0 C16 C:1AZ501 4.6 49.0 1.0 CZ C:PHE232 4.7 33.6 1.0 O C:LYS361 4.8 56.0 1.0 CG C:LYS361 4.8 57.5 1.0 C C:LYS361 5.0 56.1 1.0

Chlorine binding site 8 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:50.0 occ:1.00 CL2 C:1AZ501 0.0 50.0 1.0 C18 C:1AZ501 1.8 48.5 1.0 C1 C:1AZ501 2.7 48.6 1.0 C17 C:1AZ501 2.8 48.6 1.0 CL1 C:1AZ501 3.1 50.0 1.0 CH2 C:TRP282 3.8 43.1 1.0 C2 C:1AZ501 4.0 48.5 1.0 C16 C:1AZ501 4.0 49.0 1.0 CZ2 C:TRP282 4.1 42.7 1.0 CZ3 C:TRP282 4.2 43.1 1.0 CZ C:PHE232 4.4 33.6 1.0 C3 C:1AZ501 4.5 48.7 1.0 CE1 C:PHE232 4.6 33.6 1.0 CE2 C:TRP282 4.7 42.5 1.0 CE3 C:TRP282 4.8 43.1 1.0 OH C:TYR129 4.8 36.8 1.0 CZ C:TYR129 4.9 37.0 1.0 CE2 C:TYR129 4.9 36.6 1.0 CD2 C:TRP282 5.0 42.5 1.0

Chlorine binding site 9 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:57.8 occ:1.00 O C:HOH2120 3.2 44.1 1.0 N C:SER424 3.2 39.1 1.0 N C:LEU423 3.5 42.4 1.0 OG C:SER424 3.8 37.9 1.0 CB C:SER424 3.8 38.3 1.0 CB C:LEU423 3.8 40.4 1.0 OE1 C:GLN422 3.8 56.0 1.0 CA C:LEU423 3.9 40.6 1.0 CB C:GLN422 4.0 46.9 1.0 C C:LEU423 4.0 40.1 1.0 CA C:SER424 4.1 38.5 1.0 CG1 C:ILE460 4.1 35.9 1.0 CG2 C:ILE460 4.2 35.4 1.0 C C:GLN422 4.2 44.5 1.0 CA C:GLN422 4.5 46.3 1.0 CG2 C:VAL324 4.6 27.1 1.0 CB C:ILE460 4.6 36.8 1.0 CG1 C:VAL324 4.6 27.4 1.0 CD C:GLN422 4.8 53.9 1.0 CG C:GLN422 4.9 49.6 1.0 CG C:LEU423 4.9 40.0 1.0 CA C:ILE460 5.0 37.1 1.0 CD1 C:ILE460 5.0 35.1 1.0

Chlorine binding site 10 out of 36 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl501 b:49.7 occ:1.00 CL1 D:1AZ501 0.0 49.7 1.0 C1 D:1AZ501 1.8 48.6 1.0 C18 D:1AZ501 2.8 48.5 1.0 C2 D:1AZ501 2.8 48.5 1.0 CL2 D:1AZ501 3.1 49.8 1.0 C3 D:1AZ501 4.1 48.8 1.0 CB D:LYS361 4.1 57.1 1.0 C17 D:1AZ501 4.1 48.4 1.0 CH2 D:TRP282 4.4 43.0 1.0 CD D:LYS361 4.4 57.5 1.0 CZ2 D:TRP282 4.5 42.5 1.0 C16 D:1AZ501 4.6 48.9 1.0 CZ D:PHE232 4.8 33.6 1.0 O D:LYS361 4.8 55.9 1.0 CG D:LYS361 4.8 57.5 1.0 C D:LYS361 5.0 56.1 1.0

M.T.Nilsson, W.W.Krajewski, S.Yellagunda, S.Prabhumurthy, G.N.Chamarahally, C.Siddamadappa, B.R.Srinivasa, S.Yahiaoui, M.Larhed, A.Karlen, T.A.Jones, S.L.Mowbray. Structural Basis For the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase By Novel Atp-Competitive Inhibitors. J.Mol.Biol. V. 393 504 2009.
ISSN: ISSN 0022-2836
PubMed: 19695264
DOI: 10.1016/J.JMB.2009.08.028