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Magnesium in PDB 2pls: Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls

Protein crystallography data

The structure of Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls, PDB code: 2pls was solved by K.Tan, L.Volkart, S.Clancy, 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) 48.51 / 2.15
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 108.243, 108.493, 106.370, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 23.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls (pdb code 2pls). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls, PDB code: 2pls:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 2pls

Go back to Magnesium Binding Sites List in 2pls
Magnesium binding site 1 out of 6 in the Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg603

b:51.3
occ:1.00
 O H:HOH622 2.0 42.9 1.0
O G:HOH650 2.1 35.7 1.0
OD1 G:ASP415 2.2 46.0 1.0
O H:HOH617 2.4 39.1 1.0
OD2 G:ASP413 2.4 38.3 1.0
OD2 H:ASP420 2.6 40.1 1.0
CG H:ASP420 3.3 41.7 1.0
CG G:ASP415 3.3 47.1 1.0
OD1 H:ASP420 3.3 42.0 1.0
CG G:ASP413 3.3 39.1 1.0
OD1 G:ASP413 3.5 37.3 1.0
O G:MSE414 3.8 45.7 1.0
OD1 H:ASP356 3.8 38.3 0.5
OD2 G:ASP415 3.9 45.0 1.0
MG H:MG602 4.0 38.3 1.0
O G:HOH624 4.4 40.9 1.0
C G:MSE414 4.5 45.1 1.0
CB G:ASP415 4.5 47.4 1.0
OD1 H:ASP356 4.5 44.4 0.5
O H:ASP420 4.6 42.0 1.0
CB H:ASP420 4.7 40.4 1.0
CE H:LYS421 4.7 43.5 1.0
CA G:ASP415 4.7 47.6 1.0
CB G:ASP413 4.8 37.9 1.0
N G:ASP415 4.8 46.3 1.0
N G:MSE414 4.9 42.9 1.0
CG H:ASP356 4.9 42.0 0.5

Magnesium binding site 2 out of 6 in 2pls

Go back to Magnesium Binding Sites List in 2pls
Magnesium binding site 2 out of 6 in the Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg601

b:47.0
occ:1.00
 OD1 H:ASP415 2.1 49.3 1.0
OD2 H:ASP413 2.2 37.5 1.0
O H:HOH623 2.2 29.5 1.0
O G:HOH614 2.4 40.7 1.0
OD2 G:ASP420 2.4 42.7 1.0
O G:HOH644 2.5 40.7 1.0
CG H:ASP415 3.1 49.8 1.0
CG H:ASP413 3.2 40.3 1.0
CG G:ASP420 3.2 37.9 1.0
OD1 G:ASP420 3.4 38.7 1.0
OD2 H:ASP415 3.5 49.6 1.0
OD1 H:ASP413 3.5 35.9 1.0
MG H:MG602 3.6 38.3 1.0
O H:MSE414 4.0 48.1 1.0
CE G:LYS421 4.2 40.3 1.0
OD2 G:ASP356 4.3 38.5 1.0
C H:MSE414 4.3 48.4 1.0
O G:HOH646 4.3 49.8 1.0
O G:ASP420 4.4 34.9 1.0
O G:HOH625 4.4 31.7 1.0
CB H:ASP415 4.5 49.9 1.0
NZ G:LYS421 4.5 40.8 1.0
CB H:ASP413 4.6 40.5 1.0
CB G:ASP420 4.6 37.0 1.0
N H:MSE414 4.6 46.1 1.0
O G:HOH645 4.6 54.7 1.0
N H:ASP415 4.7 49.2 1.0
OD2 G:ASP415 4.8 45.0 1.0
CA H:ASP415 4.8 50.0 1.0
OD1 G:ASP413 4.9 37.3 1.0
C G:ASP420 5.0 35.8 1.0

Magnesium binding site 3 out of 6 in 2pls

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Magnesium binding site 3 out of 6 in the Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg602

b:38.3
occ:1.00
 OD2 H:ASP415 1.9 49.6 1.0
OD1 H:ASP413 2.0 35.9 1.0
OD1 G:ASP413 2.1 37.3 1.0
OD2 H:ASP420 2.2 40.1 1.0
OD2 G:ASP415 2.2 45.0 1.0
OD2 G:ASP420 2.3 42.7 1.0
CG H:ASP415 2.9 49.8 1.0
CG H:ASP413 3.0 40.3 1.0
CG G:ASP415 3.1 47.1 1.0
CG H:ASP420 3.2 41.7 1.0
CG G:ASP413 3.3 39.1 1.0
OD1 H:ASP415 3.3 49.3 1.0
OD1 G:ASP415 3.3 46.0 1.0
CG G:ASP420 3.4 37.9 1.0
OD2 H:ASP413 3.4 37.5 1.0
CB H:ASP420 3.6 40.4 1.0
MG H:MG601 3.6 47.0 1.0
CB G:ASP420 3.9 37.0 1.0
OD2 G:ASP413 3.9 38.3 1.0
MG G:MG603 4.0 51.3 1.0
CB H:ASP415 4.3 49.9 1.0
OD1 H:ASP420 4.3 42.0 1.0
CB H:ASP413 4.3 40.5 1.0
O H:HOH622 4.4 42.9 1.0
CB G:ASP413 4.4 37.9 1.0
OD1 G:ASP420 4.5 38.7 1.0
CB G:ASP415 4.5 47.4 1.0
O G:HOH644 4.9 40.7 1.0

Magnesium binding site 4 out of 6 in 2pls

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Magnesium binding site 4 out of 6 in the Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mg605

b:25.9
occ:1.00
 OD1 J:ASP413 1.9 27.9 1.0
OD2 I:ASP415 2.1 39.6 1.0
OD2 J:ASP415 2.1 33.4 1.0
OD1 I:ASP413 2.2 33.9 1.0
OD2 J:ASP420 2.2 31.9 1.0
OD2 I:ASP420 2.2 36.2 1.0
CG I:ASP415 3.0 42.7 1.0
CG J:ASP413 3.0 28.7 1.0
CG J:ASP415 3.1 35.9 1.0
CG I:ASP420 3.2 36.9 1.0
CG J:ASP420 3.2 30.4 1.0
CG I:ASP413 3.3 33.1 1.0
OD1 I:ASP415 3.3 42.3 1.0
MG I:MG606 3.4 35.2 1.0
OD1 J:ASP415 3.4 35.5 1.0
CB I:ASP420 3.6 34.0 1.0
OD2 J:ASP413 3.7 25.2 1.0
CB J:ASP420 3.7 30.2 1.0
OD2 I:ASP413 3.7 30.6 1.0
MG J:MG604 3.8 32.6 1.0
O J:HOH718 4.0 44.3 1.0
CB J:ASP413 4.1 30.5 1.0
OD1 J:ASP420 4.2 31.1 1.0
OD1 I:ASP420 4.2 42.4 1.0
O I:HOH825 4.3 31.8 1.0
CB J:ASP415 4.5 33.6 1.0
CB I:ASP415 4.5 39.5 1.0
CB I:ASP413 4.5 32.0 1.0
O J:HOH764 4.5 24.8 1.0
O J:HOH762 4.8 27.1 1.0
CA I:ASP420 5.0 34.0 1.0

Magnesium binding site 5 out of 6 in 2pls

Go back to Magnesium Binding Sites List in 2pls
Magnesium binding site 5 out of 6 in the Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mg606

b:35.2
occ:1.00
 OD1 I:ASP415 2.0 42.3 1.0
O J:HOH764 2.2 24.8 1.0
OD2 I:ASP413 2.2 30.6 1.0
OD2 J:ASP420 2.2 31.9 1.0
O J:HOH765 2.3 28.0 1.0
CG I:ASP413 3.0 33.1 1.0
CG I:ASP415 3.1 42.7 1.0
CG J:ASP420 3.1 30.4 1.0
OD1 I:ASP413 3.2 33.9 1.0
OD1 J:ASP420 3.3 31.1 1.0
MG I:MG605 3.4 25.9 1.0
OD2 I:ASP415 3.5 39.6 1.0
NZ J:LYS421 4.0 36.7 1.0
O I:MSE414 4.1 35.2 1.0
O J:HOH742 4.3 38.6 1.0
O J:HOH718 4.4 44.3 1.0
CE J:LYS421 4.4 35.1 1.0
CB I:ASP415 4.4 39.5 1.0
O J:ASP420 4.4 31.5 1.0
CB I:ASP413 4.5 32.0 1.0
CB J:ASP420 4.5 30.2 1.0
C I:MSE414 4.5 35.9 1.0
OD2 J:ASP356 4.6 34.5 1.0
OD1 J:ASP413 4.7 27.9 1.0
N I:MSE414 4.7 34.3 1.0
OD2 J:ASP415 4.7 33.4 1.0
CA I:ASP415 4.7 39.0 1.0
N I:ASP415 4.9 36.7 1.0
C J:ASP420 5.0 30.0 1.0
CA I:ASP413 5.0 32.4 1.0

Magnesium binding site 6 out of 6 in 2pls

Go back to Magnesium Binding Sites List in 2pls
Magnesium binding site 6 out of 6 in the Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structural Genomics, the Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg604

b:32.6
occ:1.00
 O I:HOH841 2.1 25.8 1.0
O J:HOH763 2.1 29.9 1.0
O J:HOH762 2.2 27.1 1.0
OD2 J:ASP413 2.2 25.2 1.0
OD1 J:ASP415 2.3 35.5 1.0
OD2 I:ASP420 2.3 36.2 1.0
CG J:ASP413 3.1 28.7 1.0
CG I:ASP420 3.1 36.9 1.0
OD1 I:ASP420 3.3 42.4 1.0
OD1 J:ASP413 3.3 27.9 1.0
CG J:ASP415 3.3 35.9 1.0
OD2 J:ASP415 3.7 33.4 1.0
MG I:MG605 3.8 25.9 1.0
O I:HOH826 3.8 39.8 1.0
O J:MSE414 4.1 35.2 1.0
O I:ASP420 4.1 33.9 1.0
O J:HOH741 4.2 25.1 1.0
OD2 I:ASP356 4.3 47.8 1.0
CB I:ASP420 4.4 34.0 1.0
OD1 I:ASP356 4.4 54.5 1.0
CD I:LYS421 4.5 36.0 1.0
CB J:ASP413 4.5 30.5 1.0
O I:HOH842 4.5 27.2 1.0
C J:MSE414 4.5 34.7 1.0
CG I:ASP356 4.6 44.0 1.0
N J:MSE414 4.7 33.9 1.0
CB J:ASP415 4.7 33.6 1.0
O I:HOH817 4.7 33.7 1.0
NZ I:LYS421 4.7 40.1 1.0
C I:ASP420 4.7 33.8 1.0
OD2 I:ASP415 4.7 39.6 1.0
OD1 I:ASP413 4.9 33.9 1.0
N J:ASP415 4.9 34.2 1.0
CA J:ASP415 4.9 34.4 1.0
CA J:ASP413 5.0 31.2 1.0

Reference:

K.Tan, L.Volkart, S.Clancy, A.Joachimiak. The Crystal Structure of the Corc/Hlyc Transporter Associated Domain of A Cbs Domain Protein From Chlorobium Tepidum Tls. To Be Published.
Page generated: Wed Aug 14 02:10:11 2024

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