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Magnesium in PDB 3u8x: Crystal Structure of A Chimera Containing the N-Terminal Domain (Residues 8-29) of Drosophila Ciboulot and the C-Terminal Domain (Residues 18-44) of Bovine Thymosin-BETA4, Bound to G-Actin-Atp

Protein crystallography data

The structure of Crystal Structure of A Chimera Containing the N-Terminal Domain (Residues 8-29) of Drosophila Ciboulot and the C-Terminal Domain (Residues 18-44) of Bovine Thymosin-BETA4, Bound to G-Actin-Atp, PDB code: 3u8x was solved by L.Renault, C.Husson, M.F.Carlier, D.Didry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.70 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.011, 75.326, 128.866, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 23.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Chimera Containing the N-Terminal Domain (Residues 8-29) of Drosophila Ciboulot and the C-Terminal Domain (Residues 18-44) of Bovine Thymosin-BETA4, Bound to G-Actin-Atp (pdb code 3u8x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Chimera Containing the N-Terminal Domain (Residues 8-29) of Drosophila Ciboulot and the C-Terminal Domain (Residues 18-44) of Bovine Thymosin-BETA4, Bound to G-Actin-Atp, PDB code: 3u8x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3u8x

Go back to Magnesium Binding Sites List in 3u8x
Magnesium binding site 1 out of 2 in the Crystal Structure of A Chimera Containing the N-Terminal Domain (Residues 8-29) of Drosophila Ciboulot and the C-Terminal Domain (Residues 18-44) of Bovine Thymosin-BETA4, Bound to G-Actin-Atp


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 A Chimera Containing the N-Terminal Domain (Residues 8-29) of Drosophila Ciboulot and the C-Terminal Domain (Residues 18-44) of Bovine Thymosin-BETA4, Bound to G-Actin-Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:10.3
occ:1.00
O3G A:ATP501 1.9 11.0 1.0
O1G A:ATP501 2.1 39.8 1.0
O1B A:ATP501 2.1 12.1 1.0
PG A:ATP501 2.5 38.9 1.0
PB A:ATP501 3.3 19.1 1.0
O3B A:ATP501 3.4 19.6 1.0
O2G A:ATP501 3.8 33.9 1.0
OE1 A:GLN137 3.9 15.5 1.0
O1A A:ATP501 4.0 12.2 1.0
OD2 A:ASP154 4.1 23.7 1.0
O3A A:ATP501 4.1 20.0 1.0
NZ A:LYS18 4.2 21.3 1.0
OD1 A:ASP11 4.3 24.1 1.0
CD A:GLN137 4.4 18.1 1.0
OD1 A:ASP154 4.4 24.2 1.0
CA A:GLY13 4.4 21.4 1.0
OD2 A:ASP11 4.4 19.5 1.0
O2B A:ATP501 4.5 15.5 1.0
PA A:ATP501 4.6 16.6 1.0
CG A:ASP154 4.6 18.6 1.0
NE2 A:GLN137 4.9 17.9 1.0
CG A:ASP11 4.9 21.2 1.0
CG2 A:VAL339 4.9 13.5 1.0
CA A:GLY156 5.0 13.4 1.0
O2A A:ATP501 5.0 14.2 1.0
N A:SER14 5.0 20.7 1.0

Magnesium binding site 2 out of 2 in 3u8x

Go back to Magnesium Binding Sites List in 3u8x
Magnesium binding site 2 out of 2 in the Crystal Structure of A Chimera Containing the N-Terminal Domain (Residues 8-29) of Drosophila Ciboulot and the C-Terminal Domain (Residues 18-44) of Bovine Thymosin-BETA4, Bound to G-Actin-Atp


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 A Chimera Containing the N-Terminal Domain (Residues 8-29) of Drosophila Ciboulot and the C-Terminal Domain (Residues 18-44) of Bovine Thymosin-BETA4, Bound to G-Actin-Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg502

b:5.5
occ:1.00
OD2 C:ASP154 2.6 13.3 1.0
OE1 C:GLN137 3.1 10.9 1.0
O3G C:ATP501 3.1 10.9 1.0
CB C:GLN137 3.5 6.3 1.0
CD C:GLN137 3.5 9.5 1.0
CG C:GLN137 3.7 6.6 1.0
CG2 C:VAL339 3.7 4.5 1.0
CG C:ASP154 3.8 16.6 1.0
O1B C:ATP501 3.9 14.8 1.0
NE2 C:GLN137 4.5 4.4 1.0
OD1 C:ASP154 4.5 28.4 1.0
CB C:VAL339 4.6 5.9 1.0
PG C:ATP501 4.7 32.8 1.0
OD1 C:ASP11 4.7 7.5 1.0
CG1 C:VAL339 4.8 5.8 1.0
CB C:ASP154 4.9 7.8 1.0
CA C:GLN137 4.9 8.9 1.0

Reference:

D.Didry, F.X.Cantrelle, C.Husson, P.Roblin, A.M.Moorthy, J.Perez, C.Le Clainche, M.Hertzog, E.Guittet, M.F.Carlier, C.Van Heijenoort, L.Renault. How A Single Residue in Individual Beta-Thymosin/WH2 Domains Controls Their Functions in Actin Assembly Embo J. V. 31 1000 2012.
ISSN: ISSN 0261-4189
PubMed: 22193718
DOI: 10.1038/EMBOJ.2011.461
Page generated: Mon Dec 14 08:56:17 2020

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