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Chlorine in PDB 2whi: Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.:
6.3.1.2;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate., PDB code: 2whi 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) 39.81 / 2.20
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 133.210, 228.760, 202.700, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 23.1

Other elements in 2whi:

The structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate. also contains other interesting chemical elements:

Magnesium (Mg) 18 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate. (pdb code 2whi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate., PDB code: 2whi:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in 2whi

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Chlorine binding site 1 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:41.1
occ:1.00
 CL1 A:1AZ501 0.0 41.1 1.0
C1 A:1AZ501 1.8 40.7 1.0
C2 A:1AZ501 2.7 40.1 1.0
C18 A:1AZ501 2.8 40.3 1.0
CL2 A:1AZ501 3.2 41.2 1.0
C3 A:1AZ501 4.0 40.1 1.0
C17 A:1AZ501 4.1 40.2 1.0
CB A:LYS361 4.3 33.0 1.0
CD A:LYS361 4.4 35.2 1.0
C16 A:1AZ501 4.6 40.2 1.0
CH2 A:TRP282 4.6 30.4 1.0
CZ A:PHE232 4.7 26.1 1.0
CZ2 A:TRP282 4.8 30.5 1.0
CG A:LYS361 4.9 33.8 1.0
O A:LYS361 4.9 32.4 1.0

Chlorine binding site 2 out of 18 in 2whi

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Chlorine binding site 2 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:41.2
occ:1.00
 CL2 A:1AZ501 0.0 41.2 1.0
C18 A:1AZ501 1.8 40.3 1.0
C1 A:1AZ501 2.8 40.7 1.0
C17 A:1AZ501 2.8 40.2 1.0
CL1 A:1AZ501 3.2 41.1 1.0
CH2 A:TRP282 3.8 30.4 1.0
C16 A:1AZ501 4.1 40.2 1.0
C2 A:1AZ501 4.1 40.1 1.0
CZ2 A:TRP282 4.1 30.5 1.0
CZ3 A:TRP282 4.1 30.3 1.0
CZ A:PHE232 4.5 26.1 1.0
C3 A:1AZ501 4.6 40.1 1.0
CE2 A:TRP282 4.6 30.3 1.0
CE3 A:TRP282 4.7 30.2 1.0
CE1 A:PHE232 4.7 26.6 1.0
OH A:TYR129 4.8 29.9 1.0
CZ A:TYR129 4.9 29.6 1.0
CD2 A:TRP282 4.9 30.4 1.0
CE2 A:TYR129 5.0 29.5 1.0

Chlorine binding site 3 out of 18 in 2whi

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Chlorine binding site 3 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:28.3
occ:1.00
 O A:HOH2262 3.2 45.3 1.0
O A:HOH2261 3.3 30.7 1.0
N A:SER424 3.4 25.6 1.0
O A:HOH2234 3.5 27.7 1.0
CB A:SER424 3.7 25.8 1.0
N A:LEU423 3.7 26.7 1.0
OG A:SER424 3.8 26.4 1.0
CB A:GLN422 3.9 28.4 1.0
CG2 A:ILE460 4.1 25.4 1.0
CA A:SER424 4.1 25.9 1.0
CB A:LEU423 4.2 25.7 1.0
CG A:GLN422 4.2 29.0 1.0
CA A:LEU423 4.2 26.0 1.0
CG1 A:ILE460 4.2 25.9 1.0
C A:LEU423 4.2 25.7 1.0
C A:GLN422 4.4 27.5 1.0
NE2 A:GLN422 4.4 31.3 1.0
CD A:GLN422 4.5 30.0 1.0
CG2 A:VAL324 4.6 21.1 1.0
CB A:ILE460 4.6 26.0 1.0
CA A:GLN422 4.7 28.5 1.0
OD1 A:ASN464 4.8 31.9 1.0
CD1 A:ILE460 4.9 25.2 1.0
CA A:ILE460 5.0 25.9 1.0

Chlorine binding site 4 out of 18 in 2whi

Go back to Chlorine Binding Sites List in 2whi
Chlorine binding site 4 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:41.1
occ:1.00
 CL1 B:1AZ501 0.0 41.1 1.0
C1 B:1AZ501 1.8 40.7 1.0
C2 B:1AZ501 2.7 40.0 1.0
C18 B:1AZ501 2.7 40.3 1.0
CL2 B:1AZ501 3.1 41.2 1.0
C3 B:1AZ501 4.0 40.1 1.0
C17 B:1AZ501 4.1 40.2 1.0
CB B:LYS361 4.2 33.1 1.0
CD B:LYS361 4.3 35.2 1.0
C16 B:1AZ501 4.6 40.3 1.0
CH2 B:TRP282 4.6 30.4 1.0
CZ2 B:TRP282 4.7 30.6 1.0
CZ B:PHE232 4.8 26.1 1.0
CG B:LYS361 4.8 33.8 1.0
O B:LYS361 4.9 32.4 1.0

Chlorine binding site 5 out of 18 in 2whi

Go back to Chlorine Binding Sites List in 2whi
Chlorine binding site 5 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:41.2
occ:1.00
 CL2 B:1AZ501 0.0 41.2 1.0
C18 B:1AZ501 1.8 40.3 1.0
C1 B:1AZ501 2.7 40.7 1.0
C17 B:1AZ501 2.8 40.2 1.0
CL1 B:1AZ501 3.1 41.1 1.0
CH2 B:TRP282 3.9 30.4 1.0
C2 B:1AZ501 4.1 40.0 1.0
C16 B:1AZ501 4.1 40.3 1.0
CZ2 B:TRP282 4.1 30.6 1.0
CZ3 B:TRP282 4.2 30.4 1.0
CZ B:PHE232 4.5 26.1 1.0
C3 B:1AZ501 4.6 40.1 1.0
CE2 B:TRP282 4.7 30.3 1.0
CE1 B:PHE232 4.7 26.7 1.0
CE3 B:TRP282 4.8 30.2 1.0
OH B:TYR129 4.8 29.8 1.0
CZ B:TYR129 4.9 29.6 1.0
CE2 B:TYR129 5.0 29.6 1.0

Chlorine binding site 6 out of 18 in 2whi

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Chlorine binding site 6 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:28.3
occ:1.00
 O B:HOH2260 3.2 45.2 1.0
O B:HOH2262 3.3 30.6 1.0
N B:SER424 3.4 25.7 1.0
O B:HOH2234 3.4 27.8 1.0
CB B:SER424 3.7 25.7 1.0
N B:LEU423 3.7 26.7 1.0
OG B:SER424 3.8 26.6 1.0
CB B:GLN422 3.8 28.3 1.0
CG2 B:ILE460 4.1 25.4 1.0
CA B:SER424 4.1 25.9 1.0
CG B:GLN422 4.1 29.1 1.0
CB B:LEU423 4.2 25.6 1.0
CA B:LEU423 4.2 26.0 1.0
C B:LEU423 4.3 25.8 1.0
CG1 B:ILE460 4.3 25.8 1.0
CD B:GLN422 4.4 29.9 1.0
C B:GLN422 4.4 27.5 1.0
NE2 B:GLN422 4.4 31.2 1.0
CA B:GLN422 4.6 28.4 1.0
CG2 B:VAL324 4.6 20.9 1.0
CB B:ILE460 4.6 26.0 1.0
OD1 B:ASN464 4.8 32.0 1.0
CD1 B:ILE460 5.0 25.2 1.0
CA B:ILE460 5.0 25.9 1.0

Chlorine binding site 7 out of 18 in 2whi

Go back to Chlorine Binding Sites List in 2whi
Chlorine binding site 7 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:40.9
occ:1.00
 CL1 C:1AZ501 0.0 40.9 1.0
C1 C:1AZ501 1.8 40.6 1.0
C2 C:1AZ501 2.8 40.1 1.0
C18 C:1AZ501 2.8 40.2 1.0
CL2 C:1AZ501 3.1 41.3 1.0
C3 C:1AZ501 4.1 40.0 1.0
C17 C:1AZ501 4.1 40.2 1.0
CB C:LYS361 4.3 33.1 1.0
CD C:LYS361 4.3 35.2 1.0
C16 C:1AZ501 4.6 40.2 1.0
CH2 C:TRP282 4.6 30.4 1.0
CZ C:PHE232 4.7 26.1 1.0
CZ2 C:TRP282 4.7 30.7 1.0
CG C:LYS361 4.8 33.9 1.0
O C:LYS361 5.0 32.5 1.0

Chlorine binding site 8 out of 18 in 2whi

Go back to Chlorine Binding Sites List in 2whi
Chlorine binding site 8 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:41.3
occ:1.00
 CL2 C:1AZ501 0.0 41.3 1.0
C18 C:1AZ501 1.8 40.2 1.0
C1 C:1AZ501 2.7 40.6 1.0
C17 C:1AZ501 2.8 40.2 1.0
CL1 C:1AZ501 3.1 40.9 1.0
CH2 C:TRP282 3.8 30.4 1.0
C2 C:1AZ501 4.0 40.1 1.0
C16 C:1AZ501 4.1 40.2 1.0
CZ2 C:TRP282 4.1 30.7 1.0
CZ3 C:TRP282 4.2 30.4 1.0
CZ C:PHE232 4.5 26.1 1.0
C3 C:1AZ501 4.6 40.0 1.0
CE2 C:TRP282 4.7 30.3 1.0
CE1 C:PHE232 4.7 26.6 1.0
CE3 C:TRP282 4.8 30.2 1.0
OH C:TYR129 4.8 29.7 1.0
CZ C:TYR129 4.9 29.6 1.0
CE2 C:TYR129 4.9 29.6 1.0
CD2 C:TRP282 5.0 30.2 1.0

Chlorine binding site 9 out of 18 in 2whi

Go back to Chlorine Binding Sites List in 2whi
Chlorine binding site 9 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:28.6
occ:1.00
 O C:HOH2263 3.2 45.2 1.0
O C:HOH2260 3.3 30.5 1.0
N C:SER424 3.4 25.7 1.0
O C:HOH2234 3.4 27.6 1.0
CB C:SER424 3.7 25.7 1.0
N C:LEU423 3.8 26.8 1.0
OG C:SER424 3.8 26.7 1.0
CB C:GLN422 3.9 28.4 1.0
CG2 C:ILE460 4.0 25.5 1.0
CA C:SER424 4.1 25.8 1.0
CG C:GLN422 4.2 29.0 1.0
CB C:LEU423 4.2 25.8 1.0
CG1 C:ILE460 4.2 25.8 1.0
CA C:LEU423 4.3 26.0 1.0
C C:LEU423 4.3 25.8 1.0
C C:GLN422 4.4 27.6 1.0
CD C:GLN422 4.4 30.2 1.0
NE2 C:GLN422 4.5 31.2 1.0
CB C:ILE460 4.6 26.0 1.0
CG2 C:VAL324 4.6 21.0 1.0
CA C:GLN422 4.7 28.4 1.0
OD1 C:ASN464 4.7 32.1 1.0
CA C:ILE460 4.9 25.9 1.0
CD1 C:ILE460 5.0 25.3 1.0

Chlorine binding site 10 out of 18 in 2whi

Go back to Chlorine Binding Sites List in 2whi
Chlorine binding site 10 out of 18 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Purine Analogue Inhibitor and L-Methionine-S- Sulfoximine Phosphate.


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 and L-Methionine-S- Sulfoximine Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:40.8
occ:1.00
 CL1 D:1AZ501 0.0 40.8 1.0
C1 D:1AZ501 1.8 40.6 1.0
C18 D:1AZ501 2.7 40.2 1.0
C2 D:1AZ501 2.8 40.0 1.0
CL2 D:1AZ501 3.1 41.2 1.0
C3 D:1AZ501 4.0 39.9 1.0
C17 D:1AZ501 4.0 40.2 1.0
CB D:LYS361 4.3 33.1 1.0
CD D:LYS361 4.4 35.1 1.0
C16 D:1AZ501 4.6 40.2 1.0
CH2 D:TRP282 4.6 30.4 1.0
CZ D:PHE232 4.7 26.1 1.0
CZ2 D:TRP282 4.8 30.5 1.0
CG D:LYS361 4.9 33.8 1.0
O D:LYS361 4.9 32.4 1.0

Reference:

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
Page generated: Sat Jul 20 12:50:11 2024

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