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Magnesium in PDB 3bwl: Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui

Enzymatic activity of Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui

All present enzymatic activity of Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui:
2.7.13.3;

Protein crystallography data

The structure of Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui, PDB code: 3bwl was solved by J.Osipiuk, M.Zhou, L.Freeman, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.60 / 1.73
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.811, 68.533, 105.988, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 19.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui (pdb code 3bwl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui, PDB code: 3bwl:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 3bwl

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Magnesium binding site 1 out of 5 in the Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui


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 Pas Domain of Htr-Like Protein From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg605

b:22.2
occ:1.00
 OD1 A:ASP456 2.1 15.5 1.0
O A:HOH611 2.1 20.5 1.0
O A:HOH609 2.2 19.5 1.0
O A:HOH724 2.2 19.1 1.0
O A:HOH608 2.2 19.0 1.0
O A:HOH725 2.2 20.9 1.0
CG A:ASP456 3.1 18.8 1.0
OD2 A:ASP456 3.4 19.2 1.0
O A:HOH691 3.9 40.4 1.0
OD1 A:ASP453 4.2 17.1 1.0
OE1 A:GLU455 4.4 31.1 1.0
CB A:ASP456 4.4 17.0 1.0
CA A:ASP456 4.6 17.9 1.0
N A:ASP456 4.7 18.8 1.0
OD2 A:ASP453 4.8 17.8 1.0
CG A:ASP453 4.9 18.4 1.0
CD A:GLU455 5.0 29.8 1.0

Magnesium binding site 2 out of 5 in 3bwl

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Magnesium binding site 2 out of 5 in the Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui


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 Pas Domain of Htr-Like Protein From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg606

b:23.5
occ:1.00
 OE2 B:GLU424 2.0 17.2 1.0
O B:HOH816 2.1 25.5 1.0
O B:HOH721 2.1 24.5 1.0
O B:HOH720 2.1 25.6 1.0
O B:HOH717 2.1 26.4 1.0
O B:HOH718 2.2 26.9 1.0
CD B:GLU424 3.0 22.1 1.0
OE1 B:GLU424 3.3 24.4 1.0
O B:VAL425 3.7 16.3 1.0
OE1 B:GLU437 3.7 25.1 1.0
CG B:GLU424 4.3 19.0 1.0
OE2 B:GLU407 4.4 28.6 1.0
O B:HOH829 4.5 21.5 1.0
CD2 B:LEU441 4.5 15.6 1.0
N B:VAL425 4.5 16.8 1.0
CD1 B:LEU441 4.5 15.5 1.0
C B:VAL425 4.8 16.8 1.0
NE2 B:GLN427 4.9 22.1 0.6
CD B:GLU437 4.9 28.1 1.0

Magnesium binding site 3 out of 5 in 3bwl

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Magnesium binding site 3 out of 5 in the Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui


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 Pas Domain of Htr-Like Protein From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg609

b:36.2
occ:0.70
 O C:HOH789 2.0 41.4 0.7
O C:HOH735 2.0 32.3 1.0
O C:HOH791 2.0 37.1 0.7
O C:HOH790 2.1 35.1 0.7
O C:HOH712 2.2 24.8 1.0
O C:HOH754 2.2 39.5 1.0
O C:TRP446 3.9 24.5 1.0
O C:PHE452 4.1 28.3 1.0
O C:LEU450 4.3 25.1 1.0
O C:ASP449 4.5 21.3 1.0
CA C:ASP453 4.6 27.1 1.0
CA C:LEU450 4.7 23.1 1.0
C C:PHE452 4.7 27.0 1.0
C C:LEU450 4.8 24.4 1.0
CB C:ASP453 4.8 27.9 1.0
N C:ASP453 4.9 26.9 1.0
CD2 C:LEU450 4.9 28.4 1.0

Magnesium binding site 4 out of 5 in 3bwl

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Magnesium binding site 4 out of 5 in the Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui


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 Pas Domain of Htr-Like Protein From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg607

b:31.4
occ:1.00
 O D:HOH734 2.0 35.8 1.0
O D:HOH745 2.0 28.2 1.0
OE2 D:GLU424 2.0 22.0 1.0
O D:HOH706 2.1 27.1 1.0
O D:HOH700 2.2 28.3 1.0
O D:HOH729 2.3 34.5 1.0
CD D:GLU424 3.0 25.1 1.0
OE2 D:GLU437 3.0 28.2 1.0
OE1 D:GLU424 3.4 27.8 1.0
O D:VAL425 3.7 17.2 1.0
CD D:GLU437 4.2 25.4 1.0
OE2 D:GLU407 4.3 27.6 1.0
CG D:GLU424 4.3 20.9 1.0
O D:HOH691 4.4 28.1 1.0
N D:VAL425 4.5 16.2 1.0
CD1 D:LEU441 4.5 14.3 1.0
CD2 D:LEU441 4.6 15.6 1.0
NE2 D:GLN427 4.6 23.3 0.6
C D:VAL425 4.8 17.1 1.0

Magnesium binding site 5 out of 5 in 3bwl

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Magnesium binding site 5 out of 5 in the Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui


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 Pas Domain of Htr-Like Protein From Haloarcula Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg608

b:57.5
occ:1.00
 OD2 D:ASP453 2.1 25.6 1.0
O D:HOH752 2.1 46.5 1.0
O D:HOH777 2.2 34.2 1.0
O D:HOH778 2.2 46.4 1.0
O D:HOH708 2.3 39.6 1.0
O D:HOH761 2.4 45.0 1.0
CG D:ASP453 3.2 23.0 1.0
OD1 D:ASP453 3.7 25.3 1.0
O D:HOH758 3.8 45.4 1.0
O D:HOH725 4.0 34.4 1.0
CB D:ASP453 4.4 19.9 1.0
O D:HOH710 4.6 32.4 1.0
O D:HOH786 4.6 43.6 1.0
OE1 D:GLU455 4.8 41.1 1.0
OD1 D:ASP456 4.8 24.2 1.0
OE2 D:GLU455 4.8 41.9 1.0
CD D:GLU455 4.8 37.6 1.0
OD2 D:ASP456 4.9 25.8 1.0
CB D:GLU455 5.0 22.1 1.0

Reference:

J.Osipiuk, M.Zhou, L.Freeman, A.Joachimiak. X-Ray Crystal Structure of Pas Domain of Htr-Like Protein From Haloarcula Marismortui. To Be Published.
Page generated: Wed Aug 14 09:22:04 2024

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