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:
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 Jul 20 05:55:55 2024
|