Magnesium in PDB 3m8b: Crystal Structure of Spin-Labeled Btub V10R1 in the Apo State

The structure of Crystal Structure of Spin-Labeled Btub V10R1 in the Apo State, PDB code: 3m8b was solved by D.M.Freed, P.S.Horanyi, M.C.Wiener, D.S.Cafiso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.13 / 2.44
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.290, 81.290, 226.562, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 24.8

The binding sites of Magnesium atom in the Crystal Structure of Spin-Labeled Btub V10R1 in the Apo State (pdb code 3m8b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Spin-Labeled Btub V10R1 in the Apo State, PDB code: 3m8b:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Spin-Labeled Btub V10R1 in the Apo State


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 Spin-Labeled Btub V10R1 in the Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg609 b:65.0 occ:1.00 NE2 A:HIS176 2.0 54.5 1.0 CE1 A:HIS174 2.3 45.4 1.0 NE2 A:HIS174 2.8 45.0 1.0 CD2 A:HIS176 2.9 54.5 1.0 CE1 A:HIS176 2.9 55.2 1.0 ND1 A:HIS174 3.4 44.5 1.0 ND1 A:HIS176 4.0 56.8 1.0 CG A:HIS176 4.0 53.7 1.0 CD2 A:HIS174 4.1 42.3 1.0 CG A:HIS174 4.4 40.0 1.0 MG A:MG612 4.6 76.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Spin-Labeled Btub V10R1 in the Apo State


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 Spin-Labeled Btub V10R1 in the Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg610 b:66.0 occ:1.00 CE1 A:HIS558 2.5 42.9 1.0 NE2 A:HIS558 2.6 43.1 1.0 ND1 A:HIS558 3.8 40.8 1.0 CD2 A:HIS558 3.9 39.3 1.0 OG A:SER557 4.2 32.3 1.0 CG A:HIS558 4.5 35.8 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Spin-Labeled Btub V10R1 in the Apo State


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 Spin-Labeled Btub V10R1 in the Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg611 b:66.0 occ:1.00 OD1 A:ASP411 2.4 34.8 1.0 CG A:ASP411 3.5 28.8 1.0 OD2 A:ASP411 3.9 34.2 1.0 O A:ASN409 3.9 25.7 1.0 O A:PHE365 4.4 23.6 1.0 O A:LEU410 4.5 26.4 1.0 CB A:ASP411 4.7 28.1 1.0 C A:ASN409 4.9 25.3 1.0 C A:LEU410 4.9 26.1 1.0 CA A:ASP411 4.9 27.1 1.0 N A:ASP411 5.0 26.6 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Spin-Labeled Btub V10R1 in the Apo State


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 Spin-Labeled Btub V10R1 in the Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg612 b:76.5 occ:1.00 NE2 A:HIS174 2.9 45.0 1.0 CE1 A:HIS176 3.0 55.2 1.0 CD2 A:HIS174 3.4 42.3 1.0 ND1 A:HIS176 3.5 56.8 1.0 NE2 A:HIS176 4.0 54.5 1.0 CE1 A:HIS174 4.1 45.4 1.0 O A:THR175 4.4 47.9 1.0 MG A:MG609 4.6 65.0 1.0 CG A:HIS176 4.6 53.7 1.0 CG A:HIS174 4.7 40.0 1.0 CD1 A:LEU198 4.9 40.9 1.0 CD2 A:HIS176 4.9 54.5 1.0 CB A:LEU198 4.9 35.7 1.0

D.M.Freed, P.S.Horanyi, M.C.Wiener, D.S.Cafiso. Conformational Exchange in A Membrane Transport Protein Is Altered in Protein Crystals. Biophys.J. V. 99 1604 2010.
ISSN: ISSN 0006-3495
PubMed: 20816073
DOI: 10.1016/J.BPJ.2010.06.026