Magnesium 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 Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Magnesium 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 Magnesium atom.
In total 18 binding sites of Magnesium where determined in the
Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with A Transition State Mimic, PDB code: 2bvc:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 1 out
of 18 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 Magnesium with other atoms in the Mg 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:Mg502
b:21.7
occ:1.00
|
OE2
|
A:GLU227
|
2.0
|
20.6
|
1.0
|
O
|
A:HOH2028
|
2.0
|
18.0
|
1.0
|
OE2
|
A:GLU135
|
2.2
|
18.8
|
1.0
|
OE2
|
A:GLU219
|
2.2
|
17.8
|
1.0
|
O1A
|
A:P3S500
|
2.2
|
18.2
|
1.0
|
NE
|
A:P3S500
|
2.3
|
17.1
|
1.0
|
PA
|
A:P3S500
|
2.9
|
18.7
|
1.0
|
CD
|
A:GLU227
|
3.1
|
20.7
|
1.0
|
CD
|
A:GLU219
|
3.1
|
17.5
|
1.0
|
CD
|
A:GLU135
|
3.2
|
19.0
|
1.0
|
SD
|
A:P3S500
|
3.5
|
15.4
|
1.0
|
OE1
|
A:GLU227
|
3.5
|
20.9
|
1.0
|
MG
|
A:MG504
|
3.7
|
16.1
|
1.0
|
CG
|
A:GLU135
|
3.7
|
17.7
|
1.0
|
CG
|
A:GLU219
|
3.9
|
18.0
|
1.0
|
O2A
|
A:P3S500
|
3.9
|
17.5
|
1.0
|
O3A
|
A:P3S500
|
3.9
|
17.6
|
1.0
|
CG
|
A:P3S500
|
3.9
|
15.9
|
1.0
|
CE
|
A:P3S500
|
4.0
|
14.9
|
1.0
|
OE1
|
A:GLU219
|
4.0
|
15.8
|
1.0
|
OE2
|
A:GLU133
|
4.2
|
22.7
|
1.0
|
OE1
|
A:GLU135
|
4.2
|
17.6
|
1.0
|
O
|
A:HOH2067
|
4.3
|
13.2
|
1.0
|
CG
|
A:GLU227
|
4.4
|
19.9
|
1.0
|
CB
|
A:P3S500
|
4.4
|
16.0
|
1.0
|
CE1
|
A:HIS276
|
4.4
|
21.9
|
1.0
|
O
|
A:HOH2026
|
4.5
|
25.7
|
1.0
|
CE1
|
A:HIS217
|
4.7
|
19.4
|
1.0
|
CB
|
A:GLU227
|
4.7
|
20.1
|
1.0
|
OE
|
A:P3S500
|
4.8
|
15.1
|
1.0
|
ND1
|
A:HIS276
|
4.8
|
20.7
|
1.0
|
MG
|
A:MG503
|
4.9
|
22.6
|
1.0
|
O
|
A:HOH2047
|
4.9
|
22.0
|
1.0
|
O3B
|
A:ADP501
|
4.9
|
17.1
|
1.0
|
|
Magnesium binding site 2 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 2 out
of 18 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 Magnesium with other atoms in the Mg 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
|
A:Mg503
b:22.6
occ:1.00
|
O2A
|
A:P3S500
|
2.0
|
17.5
|
1.0
|
O2B
|
A:ADP501
|
2.1
|
19.1
|
1.0
|
OE2
|
A:GLU366
|
2.2
|
20.1
|
1.0
|
OE2
|
A:GLU133
|
2.3
|
22.7
|
1.0
|
OE1
|
A:GLU133
|
2.4
|
21.8
|
1.0
|
ND1
|
A:HIS276
|
2.5
|
20.7
|
1.0
|
CD
|
A:GLU133
|
2.7
|
21.9
|
1.0
|
PB
|
A:ADP501
|
3.2
|
20.4
|
1.0
|
PA
|
A:P3S500
|
3.2
|
18.7
|
1.0
|
O3B
|
A:ADP501
|
3.3
|
17.1
|
1.0
|
CE1
|
A:HIS276
|
3.3
|
21.9
|
1.0
|
CD
|
A:GLU366
|
3.4
|
20.4
|
1.0
|
O1A
|
A:P3S500
|
3.5
|
18.2
|
1.0
|
CG
|
A:HIS276
|
3.6
|
21.1
|
1.0
|
MG
|
A:MG504
|
3.8
|
16.1
|
1.0
|
NH1
|
A:ARG368
|
3.8
|
17.5
|
1.0
|
CB
|
A:HIS276
|
3.9
|
21.1
|
1.0
|
O
|
A:HOH2028
|
3.9
|
18.0
|
1.0
|
NE2
|
A:HIS278
|
4.0
|
25.3
|
1.0
|
OE1
|
A:GLU366
|
4.0
|
20.3
|
1.0
|
NH1
|
A:ARG352
|
4.1
|
20.2
|
1.0
|
O3A
|
A:ADP501
|
4.1
|
20.3
|
1.0
|
CG
|
A:GLU133
|
4.1
|
19.9
|
1.0
|
NE
|
A:P3S500
|
4.2
|
17.1
|
1.0
|
O3A
|
A:P3S500
|
4.3
|
17.6
|
1.0
|
O1B
|
A:ADP501
|
4.4
|
19.2
|
1.0
|
CG
|
A:GLU366
|
4.4
|
21.3
|
1.0
|
NE2
|
A:HIS276
|
4.5
|
21.1
|
1.0
|
CD2
|
A:HIS276
|
4.6
|
20.9
|
1.0
|
O1A
|
A:ADP501
|
4.7
|
21.2
|
1.0
|
CB
|
A:GLU133
|
4.7
|
19.4
|
1.0
|
CZ
|
A:ARG368
|
4.8
|
18.3
|
1.0
|
CD2
|
A:HIS278
|
4.8
|
24.2
|
1.0
|
MG
|
A:MG502
|
4.9
|
21.7
|
1.0
|
CE1
|
A:HIS278
|
5.0
|
24.9
|
1.0
|
NH2
|
A:ARG347
|
5.0
|
20.8
|
1.0
|
PA
|
A:ADP501
|
5.0
|
21.8
|
1.0
|
|
Magnesium binding site 3 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 3 out
of 18 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 Magnesium with other atoms in the Mg 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
|
A:Mg504
b:16.1
occ:1.00
|
O1A
|
A:ADP501
|
2.0
|
21.2
|
1.0
|
O1A
|
A:P3S500
|
2.1
|
18.2
|
1.0
|
O
|
A:HOH2067
|
2.1
|
13.2
|
1.0
|
OE1
|
A:GLU227
|
2.1
|
20.9
|
1.0
|
O3B
|
A:ADP501
|
2.1
|
17.1
|
1.0
|
OE2
|
A:GLU133
|
2.2
|
22.7
|
1.0
|
CD
|
A:GLU227
|
3.1
|
20.7
|
1.0
|
PA
|
A:ADP501
|
3.2
|
21.8
|
1.0
|
PA
|
A:P3S500
|
3.3
|
18.7
|
1.0
|
CD
|
A:GLU133
|
3.3
|
21.9
|
1.0
|
PB
|
A:ADP501
|
3.3
|
20.4
|
1.0
|
OE2
|
A:GLU227
|
3.5
|
20.6
|
1.0
|
O3A
|
A:ADP501
|
3.6
|
20.3
|
1.0
|
O
|
A:HOH2028
|
3.6
|
18.0
|
1.0
|
MG
|
A:MG502
|
3.7
|
21.7
|
1.0
|
O2A
|
A:P3S500
|
3.7
|
17.5
|
1.0
|
MG
|
A:MG503
|
3.8
|
22.6
|
1.0
|
O
|
A:HOH2047
|
3.8
|
22.0
|
1.0
|
CG
|
A:GLU133
|
3.9
|
19.9
|
1.0
|
O2B
|
A:ADP501
|
4.0
|
19.1
|
1.0
|
ND2
|
A:ASN229
|
4.0
|
23.7
|
1.0
|
NZ
|
A:LYS215
|
4.0
|
25.8
|
1.0
|
OD1
|
A:ASN229
|
4.1
|
24.2
|
1.0
|
O3A
|
A:P3S500
|
4.1
|
17.6
|
1.0
|
O5'
|
A:ADP501
|
4.3
|
21.4
|
1.0
|
OE1
|
A:GLU133
|
4.3
|
21.8
|
1.0
|
CB
|
A:GLU133
|
4.3
|
19.4
|
1.0
|
O2A
|
A:ADP501
|
4.3
|
21.0
|
1.0
|
CG
|
A:ASN229
|
4.4
|
23.1
|
1.0
|
CG
|
A:GLU227
|
4.5
|
19.9
|
1.0
|
O
|
A:HOH2118
|
4.5
|
24.4
|
1.0
|
NE
|
A:P3S500
|
4.5
|
17.1
|
1.0
|
NE2
|
A:HIS217
|
4.5
|
18.9
|
1.0
|
O1B
|
A:ADP501
|
4.6
|
19.2
|
1.0
|
|
Magnesium binding site 4 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 4 out
of 18 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 Magnesium with other atoms in the Mg 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
|
B:Mg502
b:20.4
occ:1.00
|
OE2
|
B:GLU227
|
2.0
|
19.6
|
1.0
|
O
|
B:HOH2091
|
2.1
|
22.6
|
1.0
|
OE2
|
B:GLU219
|
2.1
|
21.3
|
1.0
|
O1A
|
B:P3S500
|
2.1
|
20.2
|
1.0
|
OE2
|
B:GLU135
|
2.2
|
17.3
|
1.0
|
NE
|
B:P3S500
|
2.3
|
20.2
|
1.0
|
PA
|
B:P3S500
|
2.8
|
19.7
|
1.0
|
CD
|
B:GLU219
|
3.1
|
21.1
|
1.0
|
CD
|
B:GLU227
|
3.1
|
20.1
|
1.0
|
CD
|
B:GLU135
|
3.2
|
17.3
|
1.0
|
SD
|
B:P3S500
|
3.5
|
20.1
|
1.0
|
OE1
|
B:GLU227
|
3.6
|
19.1
|
1.0
|
MG
|
B:MG504
|
3.7
|
19.9
|
1.0
|
CG
|
B:GLU135
|
3.7
|
18.9
|
1.0
|
CG
|
B:GLU219
|
3.8
|
19.4
|
1.0
|
O2A
|
B:P3S500
|
3.9
|
20.1
|
1.0
|
O3A
|
B:P3S500
|
3.9
|
20.4
|
1.0
|
CE
|
B:P3S500
|
3.9
|
18.0
|
1.0
|
OE1
|
B:GLU219
|
3.9
|
19.9
|
1.0
|
CG
|
B:P3S500
|
4.0
|
20.1
|
1.0
|
OE1
|
B:GLU135
|
4.2
|
17.4
|
1.0
|
OE2
|
B:GLU133
|
4.2
|
19.9
|
1.0
|
CB
|
B:P3S500
|
4.3
|
20.6
|
1.0
|
O
|
B:HOH2015
|
4.4
|
17.2
|
1.0
|
CG
|
B:GLU227
|
4.4
|
19.7
|
1.0
|
O
|
B:HOH2057
|
4.5
|
13.1
|
1.0
|
CE1
|
B:HIS276
|
4.5
|
19.2
|
1.0
|
CE1
|
B:HIS217
|
4.6
|
19.7
|
1.0
|
CB
|
B:GLU227
|
4.6
|
19.8
|
1.0
|
OE
|
B:P3S500
|
4.8
|
19.8
|
1.0
|
ND1
|
B:HIS276
|
4.9
|
19.0
|
1.0
|
NE2
|
B:HIS217
|
5.0
|
20.5
|
1.0
|
|
Magnesium binding site 5 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 5 out
of 18 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 Magnesium with other atoms in the Mg 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
|
B:Mg503
b:24.6
occ:1.00
|
O2B
|
B:ADP501
|
2.0
|
21.5
|
1.0
|
OE2
|
B:GLU366
|
2.0
|
24.6
|
1.0
|
O2A
|
B:P3S500
|
2.1
|
20.1
|
1.0
|
OE1
|
B:GLU133
|
2.3
|
18.3
|
1.0
|
OE2
|
B:GLU133
|
2.4
|
19.9
|
1.0
|
ND1
|
B:HIS276
|
2.4
|
19.0
|
1.0
|
CD
|
B:GLU133
|
2.7
|
19.5
|
1.0
|
PB
|
B:ADP501
|
3.2
|
21.8
|
1.0
|
CD
|
B:GLU366
|
3.2
|
23.9
|
1.0
|
CE1
|
B:HIS276
|
3.3
|
19.2
|
1.0
|
PA
|
B:P3S500
|
3.4
|
19.7
|
1.0
|
CG
|
B:HIS276
|
3.5
|
20.2
|
1.0
|
O3B
|
B:ADP501
|
3.5
|
19.9
|
1.0
|
NH1
|
B:ARG368
|
3.6
|
19.6
|
1.0
|
O1A
|
B:P3S500
|
3.7
|
20.2
|
1.0
|
CB
|
B:HIS276
|
3.8
|
21.0
|
1.0
|
NH1
|
B:ARG352
|
3.8
|
22.5
|
1.0
|
NE2
|
B:HIS278
|
3.9
|
22.8
|
1.0
|
MG
|
B:MG504
|
3.9
|
19.9
|
1.0
|
OE1
|
B:GLU366
|
3.9
|
24.8
|
1.0
|
O
|
B:HOH2091
|
3.9
|
22.6
|
1.0
|
O3A
|
B:ADP501
|
4.0
|
21.7
|
1.0
|
CG
|
B:GLU133
|
4.2
|
20.4
|
1.0
|
CG
|
B:GLU366
|
4.3
|
23.9
|
1.0
|
O1B
|
B:ADP501
|
4.4
|
20.4
|
1.0
|
O3A
|
B:P3S500
|
4.4
|
20.4
|
1.0
|
NE
|
B:P3S500
|
4.4
|
20.2
|
1.0
|
NE2
|
B:HIS276
|
4.4
|
19.3
|
1.0
|
CD2
|
B:HIS276
|
4.5
|
19.5
|
1.0
|
O1A
|
B:ADP501
|
4.7
|
23.3
|
1.0
|
CD2
|
B:HIS278
|
4.7
|
23.5
|
1.0
|
CZ
|
B:ARG368
|
4.8
|
20.6
|
1.0
|
CB
|
B:GLU133
|
4.8
|
21.4
|
1.0
|
CE1
|
B:HIS278
|
4.9
|
23.1
|
1.0
|
|
Magnesium binding site 6 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 6 out
of 18 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 Magnesium with other atoms in the Mg 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
|
B:Mg504
b:19.9
occ:1.00
|
O1A
|
B:P3S500
|
2.0
|
20.2
|
1.0
|
O1A
|
B:ADP501
|
2.0
|
23.3
|
1.0
|
O3B
|
B:ADP501
|
2.1
|
19.9
|
1.0
|
OE2
|
B:GLU133
|
2.2
|
19.9
|
1.0
|
O
|
B:HOH2057
|
2.2
|
13.1
|
1.0
|
OE1
|
B:GLU227
|
2.2
|
19.1
|
1.0
|
CD
|
B:GLU227
|
3.2
|
20.1
|
1.0
|
PA
|
B:P3S500
|
3.2
|
19.7
|
1.0
|
CD
|
B:GLU133
|
3.3
|
19.5
|
1.0
|
PB
|
B:ADP501
|
3.3
|
21.8
|
1.0
|
PA
|
B:ADP501
|
3.3
|
22.3
|
1.0
|
OE2
|
B:GLU227
|
3.4
|
19.6
|
1.0
|
O
|
B:HOH2091
|
3.6
|
22.6
|
1.0
|
O3A
|
B:ADP501
|
3.6
|
21.7
|
1.0
|
O2A
|
B:P3S500
|
3.7
|
20.1
|
1.0
|
MG
|
B:MG502
|
3.7
|
20.4
|
1.0
|
O2B
|
B:ADP501
|
3.8
|
21.5
|
1.0
|
O
|
B:HOH2038
|
3.9
|
22.4
|
1.0
|
CG
|
B:GLU133
|
3.9
|
20.4
|
1.0
|
O3A
|
B:P3S500
|
3.9
|
20.4
|
1.0
|
MG
|
B:MG503
|
3.9
|
24.6
|
1.0
|
NZ
|
B:LYS215
|
4.0
|
24.5
|
1.0
|
ND2
|
B:ASN229
|
4.1
|
19.4
|
1.0
|
OD1
|
B:ASN229
|
4.2
|
19.9
|
1.0
|
OE1
|
B:GLU133
|
4.2
|
18.3
|
1.0
|
O2A
|
B:ADP501
|
4.3
|
22.6
|
1.0
|
O5'
|
B:ADP501
|
4.4
|
22.6
|
1.0
|
CB
|
B:GLU133
|
4.4
|
21.4
|
1.0
|
NE
|
B:P3S500
|
4.5
|
20.2
|
1.0
|
NE2
|
B:HIS217
|
4.5
|
20.5
|
1.0
|
CG
|
B:ASN229
|
4.5
|
21.2
|
1.0
|
CG
|
B:GLU227
|
4.5
|
19.7
|
1.0
|
O1B
|
B:ADP501
|
4.5
|
20.4
|
1.0
|
|
Magnesium binding site 7 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 7 out
of 18 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 Magnesium with other atoms in the Mg binding
site number 7 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:Mg502
b:24.8
occ:1.00
|
OE2
|
C:GLU227
|
2.1
|
22.5
|
1.0
|
OE2
|
C:GLU135
|
2.1
|
21.1
|
1.0
|
OE2
|
C:GLU219
|
2.1
|
24.5
|
1.0
|
O
|
C:HOH2087
|
2.1
|
19.4
|
1.0
|
NE
|
C:P3S500
|
2.3
|
23.5
|
1.0
|
O1A
|
C:P3S500
|
2.3
|
24.7
|
1.0
|
PA
|
C:P3S500
|
3.0
|
23.5
|
1.0
|
CD
|
C:GLU135
|
3.1
|
21.5
|
1.0
|
CD
|
C:GLU219
|
3.1
|
23.5
|
1.0
|
CD
|
C:GLU227
|
3.2
|
23.5
|
1.0
|
SD
|
C:P3S500
|
3.5
|
24.1
|
1.0
|
CG
|
C:GLU135
|
3.7
|
20.3
|
1.0
|
OE1
|
C:GLU227
|
3.8
|
24.0
|
1.0
|
MG
|
C:MG504
|
3.8
|
22.9
|
1.0
|
CG
|
C:P3S500
|
3.9
|
23.9
|
1.0
|
CE
|
C:P3S500
|
3.9
|
23.6
|
1.0
|
OE1
|
C:GLU219
|
3.9
|
23.8
|
1.0
|
CG
|
C:GLU219
|
4.0
|
21.8
|
1.0
|
O2A
|
C:P3S500
|
4.0
|
22.9
|
1.0
|
O3A
|
C:P3S500
|
4.0
|
23.8
|
1.0
|
OE1
|
C:GLU135
|
4.1
|
21.6
|
1.0
|
OE2
|
C:GLU133
|
4.2
|
22.6
|
1.0
|
CB
|
C:P3S500
|
4.2
|
23.9
|
1.0
|
CG
|
C:GLU227
|
4.4
|
23.1
|
1.0
|
O
|
C:HOH2016
|
4.4
|
22.0
|
1.0
|
O
|
C:HOH2053
|
4.4
|
21.8
|
1.0
|
CE1
|
C:HIS276
|
4.5
|
21.4
|
1.0
|
CB
|
C:GLU227
|
4.6
|
22.6
|
1.0
|
CE1
|
C:HIS217
|
4.6
|
22.2
|
1.0
|
ND1
|
C:HIS276
|
4.8
|
21.2
|
1.0
|
OE
|
C:P3S500
|
4.8
|
25.2
|
1.0
|
NE2
|
C:HIS217
|
5.0
|
22.6
|
1.0
|
N
|
C:P3S500
|
5.0
|
24.3
|
1.0
|
O
|
C:HOH2038
|
5.0
|
18.6
|
1.0
|
|
Magnesium binding site 8 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 8 out
of 18 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 Magnesium with other atoms in the Mg binding
site number 8 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:Mg503
b:21.9
occ:1.00
|
OE2
|
C:GLU366
|
2.0
|
24.0
|
1.0
|
O2A
|
C:P3S500
|
2.1
|
22.9
|
1.0
|
O2B
|
C:ADP501
|
2.1
|
24.2
|
1.0
|
OE2
|
C:GLU133
|
2.3
|
22.6
|
1.0
|
OE1
|
C:GLU133
|
2.3
|
20.5
|
1.0
|
ND1
|
C:HIS276
|
2.5
|
21.2
|
1.0
|
CD
|
C:GLU133
|
2.6
|
22.0
|
1.0
|
CD
|
C:GLU366
|
3.2
|
24.9
|
1.0
|
PA
|
C:P3S500
|
3.3
|
23.5
|
1.0
|
PB
|
C:ADP501
|
3.4
|
24.3
|
1.0
|
CE1
|
C:HIS276
|
3.4
|
21.4
|
1.0
|
CG
|
C:HIS276
|
3.5
|
21.6
|
1.0
|
O1A
|
C:P3S500
|
3.6
|
24.7
|
1.0
|
O3B
|
C:ADP501
|
3.6
|
23.2
|
1.0
|
NH1
|
C:ARG368
|
3.7
|
23.5
|
1.0
|
CB
|
C:HIS276
|
3.7
|
22.8
|
1.0
|
MG
|
C:MG504
|
3.8
|
22.9
|
1.0
|
NE2
|
C:HIS278
|
3.9
|
27.3
|
1.0
|
O
|
C:HOH2087
|
3.9
|
19.4
|
1.0
|
OE1
|
C:GLU366
|
3.9
|
24.2
|
1.0
|
NH1
|
C:ARG352
|
4.0
|
24.4
|
1.0
|
CG
|
C:GLU133
|
4.1
|
21.7
|
1.0
|
O3A
|
C:ADP501
|
4.1
|
24.2
|
1.0
|
CG
|
C:GLU366
|
4.3
|
25.2
|
1.0
|
NE
|
C:P3S500
|
4.3
|
23.5
|
1.0
|
O3A
|
C:P3S500
|
4.4
|
23.8
|
1.0
|
NE2
|
C:HIS276
|
4.5
|
21.4
|
1.0
|
O1B
|
C:ADP501
|
4.5
|
24.5
|
1.0
|
CD2
|
C:HIS276
|
4.6
|
21.2
|
1.0
|
O1A
|
C:ADP501
|
4.6
|
26.6
|
1.0
|
CZ
|
C:ARG368
|
4.7
|
22.7
|
1.0
|
CD2
|
C:HIS278
|
4.7
|
26.7
|
1.0
|
CE1
|
C:HIS278
|
4.8
|
27.2
|
1.0
|
CB
|
C:GLU133
|
4.8
|
22.3
|
1.0
|
|
Magnesium binding site 9 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 9 out
of 18 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 Magnesium with other atoms in the Mg binding
site number 9 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:Mg504
b:22.9
occ:1.00
|
O3B
|
C:ADP501
|
2.0
|
23.2
|
1.0
|
O1A
|
C:ADP501
|
2.0
|
26.6
|
1.0
|
O1A
|
C:P3S500
|
2.0
|
24.7
|
1.0
|
O
|
C:HOH2053
|
2.1
|
21.8
|
1.0
|
OE2
|
C:GLU133
|
2.3
|
22.6
|
1.0
|
OE1
|
C:GLU227
|
2.4
|
24.0
|
1.0
|
PB
|
C:ADP501
|
3.2
|
24.3
|
1.0
|
CD
|
C:GLU227
|
3.2
|
23.5
|
1.0
|
PA
|
C:ADP501
|
3.3
|
26.0
|
1.0
|
PA
|
C:P3S500
|
3.3
|
23.5
|
1.0
|
CD
|
C:GLU133
|
3.3
|
22.0
|
1.0
|
OE2
|
C:GLU227
|
3.3
|
22.5
|
1.0
|
O3A
|
C:ADP501
|
3.6
|
24.2
|
1.0
|
O2B
|
C:ADP501
|
3.7
|
24.2
|
1.0
|
O
|
C:HOH2087
|
3.7
|
19.4
|
1.0
|
O2A
|
C:P3S500
|
3.7
|
22.9
|
1.0
|
O
|
C:HOH2038
|
3.8
|
18.6
|
1.0
|
MG
|
C:MG503
|
3.8
|
21.9
|
1.0
|
MG
|
C:MG502
|
3.8
|
24.8
|
1.0
|
NZ
|
C:LYS215
|
3.9
|
25.3
|
1.0
|
CG
|
C:GLU133
|
3.9
|
21.7
|
1.0
|
O3A
|
C:P3S500
|
4.0
|
23.8
|
1.0
|
ND2
|
C:ASN229
|
4.1
|
22.3
|
1.0
|
OD1
|
C:ASN229
|
4.2
|
21.6
|
1.0
|
OE1
|
C:GLU133
|
4.2
|
20.5
|
1.0
|
O2A
|
C:ADP501
|
4.2
|
23.6
|
1.0
|
O5'
|
C:ADP501
|
4.3
|
25.6
|
1.0
|
CB
|
C:GLU133
|
4.4
|
22.3
|
1.0
|
NE
|
C:P3S500
|
4.5
|
23.5
|
1.0
|
O1B
|
C:ADP501
|
4.5
|
24.5
|
1.0
|
CG
|
C:ASN229
|
4.5
|
23.0
|
1.0
|
NE2
|
C:HIS217
|
4.6
|
22.6
|
1.0
|
CG
|
C:GLU227
|
4.6
|
23.1
|
1.0
|
|
Magnesium binding site 10 out
of 18 in 2bvc
Go back to
Magnesium Binding Sites List in 2bvc
Magnesium binding site 10 out
of 18 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 Magnesium with other atoms in the Mg binding
site number 10 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:Mg502
b:22.8
occ:1.00
|
OE2
|
D:GLU227
|
2.0
|
23.6
|
1.0
|
OE2
|
D:GLU135
|
2.0
|
19.6
|
1.0
|
OE2
|
D:GLU219
|
2.2
|
17.6
|
1.0
|
O
|
D:HOH2063
|
2.2
|
18.7
|
1.0
|
NE
|
D:P3S500
|
2.3
|
21.7
|
1.0
|
O1A
|
D:P3S500
|
2.3
|
23.3
|
1.0
|
PA
|
D:P3S500
|
3.0
|
23.2
|
1.0
|
CD
|
D:GLU135
|
3.1
|
19.8
|
1.0
|
CD
|
D:GLU219
|
3.1
|
19.4
|
1.0
|
CD
|
D:GLU227
|
3.1
|
21.7
|
1.0
|
SD
|
D:P3S500
|
3.5
|
21.1
|
1.0
|
CG
|
D:GLU135
|
3.7
|
19.7
|
1.0
|
OE1
|
D:GLU227
|
3.7
|
23.5
|
1.0
|
MG
|
D:MG504
|
3.8
|
23.8
|
1.0
|
OE1
|
D:GLU219
|
3.9
|
19.7
|
1.0
|
CG
|
D:GLU219
|
3.9
|
19.5
|
1.0
|
CG
|
D:P3S500
|
3.9
|
20.3
|
1.0
|
O3A
|
D:P3S500
|
4.0
|
23.1
|
1.0
|
CE
|
D:P3S500
|
4.0
|
19.3
|
1.0
|
O2A
|
D:P3S500
|
4.0
|
21.7
|
1.0
|
OE1
|
D:GLU135
|
4.1
|
19.6
|
1.0
|
OE2
|
D:GLU133
|
4.3
|
22.1
|
1.0
|
CG
|
D:GLU227
|
4.3
|
21.1
|
1.0
|
O
|
D:HOH2025
|
4.4
|
22.0
|
1.0
|
CB
|
D:P3S500
|
4.4
|
20.3
|
1.0
|
O
|
D:HOH2059
|
4.4
|
18.4
|
1.0
|
CE1
|
D:HIS276
|
4.5
|
21.4
|
1.0
|
CB
|
D:GLU227
|
4.6
|
20.6
|
1.0
|
CE1
|
D:HIS217
|
4.7
|
19.3
|
1.0
|
ND1
|
D:HIS276
|
4.8
|
21.0
|
1.0
|
OE
|
D:P3S500
|
4.8
|
20.5
|
1.0
|
N
|
D:P3S500
|
4.9
|
20.6
|
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
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