Magnesium in PDB 2gwc: Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
Enzymatic activity of Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
All present enzymatic activity of Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue:
6.3.2.2;
Protein crystallography data
The structure of Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue, PDB code: 2gwc
was solved by
M.Hothorn,
A.Wachter,
R.Gromes,
T.Stuwe,
T.Rausch,
K.Scheffzek,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
99.50 /
2.18
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
88.040,
198.920,
114.970,
90.00,
99.66,
90.00
|
R / Rfree (%)
|
19.8 /
24.1
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
(pdb code 2gwc). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue, PDB code: 2gwc:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 2gwc
Go back to
Magnesium Binding Sites List in 2gwc
Magnesium binding site 1 out
of 8 in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
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 Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1
b:28.6
occ:1.00
|
OE1
|
A:GLU165
|
2.0
|
32.6
|
1.0
|
OE2
|
A:GLU107
|
2.0
|
30.0
|
1.0
|
OE2
|
A:GLU159
|
2.1
|
25.7
|
1.0
|
OAG
|
A:BSC2
|
2.4
|
31.6
|
1.0
|
CD
|
A:GLU165
|
3.1
|
26.9
|
1.0
|
CD
|
A:GLU107
|
3.2
|
24.9
|
1.0
|
CD
|
A:GLU159
|
3.3
|
24.2
|
1.0
|
SAF
|
A:BSC2
|
3.7
|
29.3
|
1.0
|
OE2
|
A:GLU165
|
3.7
|
30.9
|
1.0
|
CG
|
A:GLU107
|
3.7
|
24.1
|
1.0
|
CAH
|
A:BSC2
|
4.1
|
27.5
|
1.0
|
CG
|
A:GLU159
|
4.1
|
23.4
|
1.0
|
OE1
|
A:GLU159
|
4.1
|
27.9
|
1.0
|
CG
|
A:GLU165
|
4.2
|
24.9
|
1.0
|
OE1
|
A:GLU107
|
4.2
|
26.4
|
1.0
|
CAE
|
A:BSC2
|
4.2
|
31.1
|
1.0
|
CB
|
A:BSC2
|
4.3
|
25.9
|
1.0
|
OE1
|
A:GLU105
|
4.4
|
33.7
|
1.0
|
CG2
|
A:THR244
|
4.8
|
23.5
|
1.0
|
NAA
|
A:BSC2
|
4.9
|
32.1
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 2gwc
Go back to
Magnesium Binding Sites List in 2gwc
Magnesium binding site 2 out
of 8 in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
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 Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1
b:27.1
occ:1.00
|
OE1
|
B:GLU165
|
2.1
|
29.9
|
1.0
|
OE2
|
B:GLU107
|
2.1
|
27.6
|
1.0
|
OE2
|
B:GLU159
|
2.3
|
27.3
|
1.0
|
OAG
|
B:BSC2
|
2.4
|
33.5
|
1.0
|
CD
|
B:GLU165
|
3.0
|
26.5
|
1.0
|
CD
|
B:GLU107
|
3.3
|
23.4
|
1.0
|
CD
|
B:GLU159
|
3.3
|
25.6
|
1.0
|
OE2
|
B:GLU165
|
3.4
|
32.4
|
1.0
|
SAF
|
B:BSC2
|
3.7
|
31.6
|
1.0
|
CG
|
B:GLU107
|
3.9
|
23.8
|
1.0
|
OE1
|
B:GLU159
|
4.1
|
28.5
|
1.0
|
CAH
|
B:BSC2
|
4.2
|
32.8
|
1.0
|
CG
|
B:GLU159
|
4.2
|
23.1
|
1.0
|
OE1
|
B:GLU107
|
4.3
|
24.0
|
1.0
|
CAE
|
B:BSC2
|
4.3
|
34.1
|
1.0
|
CG
|
B:GLU165
|
4.4
|
24.6
|
1.0
|
CB
|
B:BSC2
|
4.4
|
32.4
|
1.0
|
OE1
|
B:GLU105
|
4.5
|
34.4
|
1.0
|
NAA
|
B:BSC2
|
4.9
|
29.2
|
1.0
|
CB
|
B:GLU165
|
5.0
|
24.3
|
1.0
|
CG2
|
B:THR244
|
5.0
|
24.3
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 2gwc
Go back to
Magnesium Binding Sites List in 2gwc
Magnesium binding site 3 out
of 8 in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
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 Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg1
b:28.5
occ:1.00
|
OE1
|
C:GLU165
|
2.0
|
32.0
|
1.0
|
OE2
|
C:GLU107
|
2.0
|
27.0
|
1.0
|
OE2
|
C:GLU159
|
2.1
|
23.5
|
1.0
|
OAG
|
C:BSC2
|
2.3
|
32.6
|
1.0
|
CD
|
C:GLU165
|
3.0
|
27.4
|
1.0
|
CD
|
C:GLU107
|
3.1
|
24.9
|
1.0
|
CD
|
C:GLU159
|
3.3
|
24.1
|
1.0
|
OE2
|
C:GLU165
|
3.4
|
31.5
|
1.0
|
SAF
|
C:BSC2
|
3.6
|
30.6
|
1.0
|
CG
|
C:GLU107
|
3.7
|
23.7
|
1.0
|
OE1
|
C:GLU159
|
4.0
|
25.5
|
1.0
|
CAH
|
C:BSC2
|
4.1
|
32.3
|
1.0
|
CG
|
C:GLU159
|
4.2
|
22.8
|
1.0
|
OE1
|
C:GLU107
|
4.2
|
28.8
|
1.0
|
CAE
|
C:BSC2
|
4.2
|
32.4
|
1.0
|
CG
|
C:GLU165
|
4.4
|
24.7
|
1.0
|
CB
|
C:BSC2
|
4.4
|
31.0
|
1.0
|
OE1
|
C:GLU105
|
4.5
|
32.8
|
1.0
|
CG2
|
C:THR244
|
4.8
|
23.6
|
1.0
|
NAA
|
C:BSC2
|
4.8
|
30.5
|
1.0
|
CB
|
C:GLU165
|
5.0
|
24.0
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 2gwc
Go back to
Magnesium Binding Sites List in 2gwc
Magnesium binding site 4 out
of 8 in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
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 Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1
b:36.7
occ:1.00
|
OE2
|
D:GLU107
|
2.0
|
30.5
|
1.0
|
OE1
|
D:GLU165
|
2.2
|
32.4
|
1.0
|
OAG
|
D:BSC2
|
2.3
|
28.5
|
1.0
|
OE2
|
D:GLU159
|
2.3
|
28.3
|
1.0
|
CD
|
D:GLU107
|
3.1
|
25.4
|
1.0
|
CD
|
D:GLU165
|
3.2
|
26.1
|
1.0
|
CD
|
D:GLU159
|
3.5
|
24.6
|
1.0
|
SAF
|
D:BSC2
|
3.6
|
30.1
|
1.0
|
OE2
|
D:GLU165
|
3.6
|
29.4
|
1.0
|
CG
|
D:GLU107
|
3.8
|
24.0
|
1.0
|
CAH
|
D:BSC2
|
4.0
|
30.1
|
1.0
|
OE1
|
D:GLU107
|
4.1
|
27.7
|
1.0
|
CB
|
D:BSC2
|
4.3
|
29.3
|
1.0
|
OE1
|
D:GLU159
|
4.3
|
26.4
|
1.0
|
CG
|
D:GLU165
|
4.3
|
24.4
|
1.0
|
OE1
|
D:GLU105
|
4.4
|
33.7
|
1.0
|
CG
|
D:GLU159
|
4.4
|
23.0
|
1.0
|
CAE
|
D:BSC2
|
4.4
|
31.1
|
1.0
|
CG2
|
D:THR244
|
4.6
|
23.8
|
1.0
|
NAA
|
D:BSC2
|
4.7
|
29.7
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 2gwc
Go back to
Magnesium Binding Sites List in 2gwc
Magnesium binding site 5 out
of 8 in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
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 Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg1
b:34.5
occ:1.00
|
OE2
|
E:GLU107
|
1.9
|
29.0
|
1.0
|
OE1
|
E:GLU165
|
2.1
|
28.4
|
1.0
|
OAG
|
E:BSC2
|
2.4
|
34.3
|
1.0
|
OE2
|
E:GLU159
|
2.5
|
25.1
|
1.0
|
CD
|
E:GLU107
|
3.1
|
25.3
|
1.0
|
CD
|
E:GLU165
|
3.2
|
26.6
|
1.0
|
CD
|
E:GLU159
|
3.4
|
24.7
|
1.0
|
SAF
|
E:BSC2
|
3.6
|
32.6
|
1.0
|
O
|
E:HOH586
|
3.6
|
26.7
|
1.0
|
OE2
|
E:GLU165
|
3.7
|
29.9
|
1.0
|
CG
|
E:GLU107
|
3.9
|
24.5
|
1.0
|
CAH
|
E:BSC2
|
3.9
|
31.5
|
1.0
|
O
|
E:HOH628
|
4.0
|
22.0
|
1.0
|
OE1
|
E:GLU159
|
4.1
|
26.8
|
1.0
|
OE1
|
E:GLU107
|
4.1
|
27.2
|
1.0
|
CG
|
E:GLU159
|
4.2
|
23.6
|
1.0
|
CAE
|
E:BSC2
|
4.3
|
32.9
|
1.0
|
CB
|
E:BSC2
|
4.5
|
31.1
|
1.0
|
CG
|
E:GLU165
|
4.5
|
24.7
|
1.0
|
OE1
|
E:GLU105
|
4.8
|
35.0
|
1.0
|
CG2
|
E:THR244
|
4.8
|
24.4
|
1.0
|
NAA
|
E:BSC2
|
4.8
|
29.5
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 2gwc
Go back to
Magnesium Binding Sites List in 2gwc
Magnesium binding site 6 out
of 8 in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
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 Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg1
b:27.6
occ:1.00
|
OE1
|
F:GLU165
|
2.1
|
32.5
|
1.0
|
OE2
|
F:GLU107
|
2.1
|
28.4
|
1.0
|
OE2
|
F:GLU159
|
2.2
|
22.8
|
1.0
|
OAG
|
F:BSC2
|
2.4
|
30.3
|
1.0
|
CD
|
F:GLU165
|
3.1
|
27.7
|
1.0
|
CD
|
F:GLU107
|
3.2
|
23.7
|
1.0
|
CD
|
F:GLU159
|
3.3
|
23.7
|
1.0
|
SAF
|
F:BSC2
|
3.6
|
27.9
|
1.0
|
OE2
|
F:GLU165
|
3.7
|
30.4
|
1.0
|
CG
|
F:GLU107
|
3.7
|
23.7
|
1.0
|
O
|
F:HOH605
|
3.9
|
28.8
|
1.0
|
CAH
|
F:BSC2
|
4.0
|
26.5
|
1.0
|
CG
|
F:GLU159
|
4.1
|
23.2
|
1.0
|
OE1
|
F:GLU159
|
4.2
|
26.8
|
1.0
|
OE1
|
F:GLU107
|
4.2
|
26.5
|
1.0
|
CAE
|
F:BSC2
|
4.2
|
30.0
|
1.0
|
CG
|
F:GLU165
|
4.3
|
24.9
|
1.0
|
CB
|
F:BSC2
|
4.5
|
25.6
|
1.0
|
OE1
|
F:GLU105
|
4.5
|
34.2
|
1.0
|
CB
|
F:GLU165
|
4.8
|
24.1
|
1.0
|
NAA
|
F:BSC2
|
4.9
|
28.6
|
1.0
|
CG2
|
F:THR244
|
4.9
|
24.5
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 2gwc
Go back to
Magnesium Binding Sites List in 2gwc
Magnesium binding site 7 out
of 8 in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
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 Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg1
b:37.9
occ:1.00
|
OE1
|
G:GLU165
|
2.1
|
32.1
|
1.0
|
OE2
|
G:GLU159
|
2.1
|
26.8
|
1.0
|
OE2
|
G:GLU107
|
2.2
|
29.5
|
1.0
|
OAG
|
G:BSC2
|
2.3
|
33.6
|
1.0
|
CD
|
G:GLU165
|
3.0
|
27.6
|
1.0
|
CD
|
G:GLU159
|
3.2
|
26.1
|
1.0
|
CD
|
G:GLU107
|
3.3
|
24.4
|
1.0
|
OE2
|
G:GLU165
|
3.4
|
31.9
|
1.0
|
SAF
|
G:BSC2
|
3.5
|
33.6
|
1.0
|
CG
|
G:GLU107
|
3.8
|
23.6
|
1.0
|
CAH
|
G:BSC2
|
3.9
|
32.9
|
1.0
|
OE1
|
G:GLU159
|
4.0
|
27.6
|
1.0
|
CG
|
G:GLU159
|
4.2
|
23.8
|
1.0
|
CAE
|
G:BSC2
|
4.2
|
35.0
|
1.0
|
CG
|
G:GLU165
|
4.3
|
24.6
|
1.0
|
OE1
|
G:GLU105
|
4.3
|
35.5
|
1.0
|
OE1
|
G:GLU107
|
4.4
|
28.4
|
1.0
|
CB
|
G:BSC2
|
4.5
|
31.6
|
1.0
|
O
|
G:HOH626
|
4.5
|
34.0
|
1.0
|
NAA
|
G:BSC2
|
4.7
|
33.8
|
1.0
|
CG2
|
G:THR244
|
4.8
|
24.9
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 2gwc
Go back to
Magnesium Binding Sites List in 2gwc
Magnesium binding site 8 out
of 8 in the Crystal Structure of Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue
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 Plant Glutamate Cysteine Ligase in Complex with A Transition State Analogue within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg1
b:38.4
occ:1.00
|
OE1
|
H:GLU165
|
1.8
|
30.8
|
1.0
|
OE2
|
H:GLU107
|
2.0
|
25.8
|
1.0
|
OE2
|
H:GLU159
|
2.3
|
25.3
|
1.0
|
OAG
|
H:BSC2
|
2.4
|
31.8
|
1.0
|
CD
|
H:GLU165
|
2.9
|
27.0
|
1.0
|
CD
|
H:GLU107
|
3.1
|
24.4
|
1.0
|
OE2
|
H:GLU165
|
3.4
|
30.9
|
1.0
|
CD
|
H:GLU159
|
3.5
|
24.8
|
1.0
|
SAF
|
H:BSC2
|
3.6
|
29.0
|
1.0
|
CG
|
H:GLU107
|
3.7
|
24.1
|
1.0
|
CAH
|
H:BSC2
|
3.9
|
28.1
|
1.0
|
OE1
|
H:GLU107
|
4.1
|
26.7
|
1.0
|
CG
|
H:GLU165
|
4.1
|
24.9
|
1.0
|
OE1
|
H:GLU105
|
4.2
|
35.4
|
1.0
|
CG
|
H:GLU159
|
4.2
|
23.8
|
1.0
|
OE1
|
H:GLU159
|
4.3
|
29.3
|
1.0
|
CB
|
H:BSC2
|
4.5
|
27.6
|
1.0
|
CG2
|
H:THR244
|
4.5
|
24.8
|
1.0
|
CAE
|
H:BSC2
|
4.5
|
30.9
|
1.0
|
NAA
|
H:BSC2
|
4.8
|
31.4
|
1.0
|
CB
|
H:GLU165
|
5.0
|
24.2
|
1.0
|
|
Reference:
M.Hothorn,
A.Wachter,
R.Gromes,
T.Stuwe,
T.Rausch,
K.Scheffzek.
Structural Basis For the Redox Control of Plant Glutamate Cysteine Ligase. J.Biol.Chem. V. 281 27557 2006.
ISSN: ISSN 0021-9258
PubMed: 16766527
DOI: 10.1074/JBC.M602770200
Page generated: Tue Aug 13 23:36:44 2024
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