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Chlorine in PDB 2bvc: Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic:
6.3.1.2;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic, PDB code: 2bvc was solved by 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) 20.00 / 2.1
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 133.261, 229.457, 203.167, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 23

Other elements in 2bvc:

The structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic also contains other interesting chemical elements:

Magnesium (Mg) 18 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic (pdb code 2bvc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic, PDB code: 2bvc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2bvc

Go back to Chlorine Binding Sites List in 2bvc
Chlorine binding site 1 out of 6 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic


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 Transition State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:22.1
occ:1.00
N F:SER424 3.5 24.8 1.0
CB F:SER424 3.8 24.7 1.0
OG F:SER424 3.8 24.8 1.0
N F:LEU423 3.9 24.8 1.0
CB F:GLN422 3.9 25.8 1.0
CG2 F:ILE460 4.0 22.9 1.0
NE2 F:GLN422 4.1 26.3 1.0
CG F:GLN422 4.1 26.2 1.0
CG1 F:ILE460 4.2 23.2 1.0
CA F:SER424 4.2 24.8 1.0
CB F:LEU423 4.3 24.2 1.0
CD F:GLN422 4.4 27.0 1.0
CA F:LEU423 4.4 24.4 1.0
C F:LEU423 4.5 24.6 1.0
CG2 F:VAL324 4.5 17.1 1.0
C F:GLN422 4.6 25.3 1.0
CB F:ILE460 4.6 23.2 1.0
OD1 F:ASN464 4.7 28.4 1.0
CA F:GLN422 4.8 25.8 1.0
CD1 F:ILE460 5.0 23.2 1.0
CA F:ILE460 5.0 23.3 1.0
CG1 F:VAL324 5.0 16.2 1.0

Chlorine binding site 2 out of 6 in 2bvc

Go back to Chlorine Binding Sites List in 2bvc
Chlorine binding site 2 out of 6 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic


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 Transition State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:22.9
occ:1.00
O E:HOH2108 3.3 21.0 1.0
N E:SER424 3.4 22.9 1.0
OG E:SER424 3.7 25.1 1.0
CB E:SER424 3.7 23.3 1.0
N E:LEU423 3.8 23.4 1.0
CB E:GLN422 3.9 25.0 1.0
CG2 E:ILE460 4.0 22.3 1.0
CA E:SER424 4.1 23.1 1.0
CB E:LEU423 4.2 22.6 1.0
CA E:LEU423 4.2 22.9 1.0
CG1 E:ILE460 4.2 22.7 1.0
C E:LEU423 4.3 22.8 1.0
CG E:GLN422 4.3 26.3 1.0
CG2 E:VAL324 4.5 18.2 1.0
C E:GLN422 4.5 24.1 1.0
NE2 E:GLN422 4.5 28.7 1.0
CD E:GLN422 4.5 28.7 1.0
CB E:ILE460 4.6 22.6 1.0
OD1 E:ASN464 4.7 30.8 1.0
CA E:GLN422 4.7 24.9 1.0
CD1 E:ILE460 4.9 22.1 1.0
CA E:ILE460 5.0 22.9 1.0
CG1 E:VAL324 5.0 19.1 1.0

Chlorine binding site 3 out of 6 in 2bvc

Go back to Chlorine Binding Sites List in 2bvc
Chlorine binding site 3 out of 6 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic


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 Transition State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl505

b:22.9
occ:1.00
O A:HOH2109 3.1 21.6 1.0
O A:HOH2100 3.2 28.8 1.0
N A:SER424 3.5 24.6 1.0
OG A:SER424 3.7 25.8 1.0
CB A:SER424 3.8 24.9 1.0
N A:LEU423 3.8 25.2 1.0
CG2 A:ILE460 3.8 24.1 1.0
NE2 A:GLN422 3.9 28.5 1.0
CB A:GLN422 3.9 26.7 1.0
CG A:GLN422 4.2 27.2 1.0
CB A:LEU423 4.2 24.5 1.0
CG1 A:ILE460 4.2 23.9 1.0
CA A:SER424 4.2 25.0 1.0
CA A:LEU423 4.3 24.6 1.0
C A:LEU423 4.3 24.6 1.0
CD A:GLN422 4.3 27.9 1.0
CB A:ILE460 4.5 24.1 1.0
C A:GLN422 4.5 25.9 1.0
OD1 A:ASN464 4.7 26.6 1.0
CA A:GLN422 4.7 26.7 1.0
CG2 A:VAL324 4.7 19.2 1.0
CD1 A:ILE460 4.9 23.5 1.0
CA A:ILE460 4.9 24.1 1.0

Chlorine binding site 4 out of 6 in 2bvc

Go back to Chlorine Binding Sites List in 2bvc
Chlorine binding site 4 out of 6 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic


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 Transition State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl505

b:28.6
occ:1.00
N B:SER424 3.4 26.0 1.0
O B:HOH2082 3.5 23.5 1.0
N B:LEU423 3.8 26.2 1.0
OG B:SER424 3.8 26.7 1.0
CB B:SER424 3.8 26.3 1.0
NE2 B:GLN422 3.9 30.8 1.0
CB B:GLN422 3.9 28.0 1.0
CB B:LEU423 4.1 25.5 1.0
CG2 B:ILE460 4.1 27.4 1.0
CA B:SER424 4.2 26.4 1.0
CA B:LEU423 4.2 25.8 1.0
CG B:GLN422 4.2 29.1 1.0
CG1 B:ILE460 4.2 27.6 1.0
C B:LEU423 4.3 25.9 1.0
CD B:GLN422 4.4 30.7 1.0
C B:GLN422 4.5 27.1 1.0
OD1 B:ASN464 4.5 31.9 1.0
CG2 B:VAL324 4.6 19.5 1.0
CB B:ILE460 4.7 27.5 1.0
CA B:GLN422 4.8 27.7 1.0
CD1 B:ILE460 4.9 27.4 1.0
CA B:ILE460 5.0 27.5 1.0

Chlorine binding site 5 out of 6 in 2bvc

Go back to Chlorine Binding Sites List in 2bvc
Chlorine binding site 5 out of 6 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic


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 Transition State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl505

b:27.3
occ:1.00
N C:SER424 3.5 27.9 1.0
OG C:SER424 3.7 28.9 1.0
CB C:SER424 3.8 28.4 1.0
CB C:GLN422 3.9 28.5 1.0
N C:LEU423 3.9 27.4 1.0
CG2 C:ILE460 3.9 26.6 1.0
CG C:GLN422 4.1 28.6 1.0
NE2 C:GLN422 4.1 28.5 1.0
CB C:LEU423 4.1 27.1 1.0
CA C:SER424 4.3 28.2 1.0
CD C:GLN422 4.3 29.1 1.0
CA C:LEU423 4.3 27.3 1.0
CG1 C:ILE460 4.4 26.1 1.0
C C:LEU423 4.4 27.6 1.0
C C:GLN422 4.5 28.0 1.0
OD1 C:ASN464 4.6 32.1 1.0
CB C:ILE460 4.6 26.8 1.0
CG2 C:VAL324 4.6 21.6 1.0
CA C:GLN422 4.7 28.4 1.0
CA C:ILE460 4.9 26.7 1.0
CD1 C:ILE460 5.0 26.3 1.0
CG1 C:VAL324 5.0 22.5 1.0

Chlorine binding site 6 out of 6 in 2bvc

Go back to Chlorine Binding Sites List in 2bvc
Chlorine binding site 6 out of 6 in the Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic


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 Transition State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl505

b:32.1
occ:1.00
N D:SER424 3.3 26.0 1.0
OG D:SER424 3.5 26.7 1.0
CB D:SER424 3.7 26.1 1.0
N D:LEU423 3.7 27.1 1.0
CB D:GLN422 3.9 28.9 1.0
CB D:LEU423 4.1 26.0 1.0
CG2 D:ILE460 4.1 24.2 1.0
CA D:SER424 4.1 26.1 1.0
CG D:GLN422 4.1 29.4 1.0
CA D:LEU423 4.2 26.4 1.0
NE2 D:GLN422 4.2 31.4 1.0
C D:LEU423 4.2 26.2 1.0
CG1 D:ILE460 4.3 24.1 1.0
CD D:GLN422 4.4 30.0 1.0
C D:GLN422 4.5 28.0 1.0
CB D:ILE460 4.7 24.4 1.0
OD1 D:ASN464 4.7 30.3 1.0
CG2 D:VAL324 4.7 21.2 1.0
CA D:GLN422 4.7 28.8 1.0
CD1 D:ILE460 5.0 24.2 1.0

Reference:

W.W.Krajewski, T.A.Jones, S.L.Mowbray. Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition-State Mimic Provides Functional Insights. Proc.Natl.Acad.Sci.Usa V. 102 10499 2005.
ISSN: ISSN 0027-8424
PubMed: 16027359
DOI: 10.1073/PNAS.0502248102
Page generated: Sat Dec 12 09:00:59 2020

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