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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

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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

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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

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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

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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

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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

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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

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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

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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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