Magnesium in PDB 3rgn: Crystal Structure of Spin-Labeled Btub W371R1

The structure of Crystal Structure of Spin-Labeled Btub W371R1, PDB code: 3rgn 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)	33.38 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.681, 81.681, 227.148, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 25

The binding sites of Magnesium atom in the Crystal Structure of Spin-Labeled Btub W371R1 (pdb code 3rgn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Spin-Labeled Btub W371R1, PDB code: 3rgn:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Spin-Labeled Btub W371R1


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 W371R1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg595 b:76.1 occ:1.00 CE1 A:HIS176 2.2 0.6 1.0 NE2 A:HIS176 2.3 0.1 1.0 CE1 A:HIS174 2.4 92.2 1.0 NE2 A:HIS174 2.5 91.4 1.0 ND1 A:HIS176 3.3 0.1 1.0 CD2 A:HIS176 3.4 0.3 1.0 ND1 A:HIS174 3.7 90.6 1.0 CD2 A:HIS174 3.8 88.5 1.0 CG A:HIS176 4.0 0.2 1.0 O A:HOH713 4.1 38.1 1.0 CG A:HIS174 4.4 85.5 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Spin-Labeled Btub W371R1


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 W371R1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg596 b:69.7 occ:1.00 OH A:TYR256 3.2 58.5 1.0 N A:ILE261 3.5 50.5 1.0 N A:GLU259 3.5 58.8 1.0 N A:LEU260 3.5 54.5 1.0 CA A:GLY258 3.7 59.7 1.0 CE2 A:TYR256 3.8 53.2 1.0 CB A:ILE261 3.9 49.8 1.0 C A:GLY258 3.9 58.2 1.0 CZ A:TYR256 3.9 57.4 1.0 CG1 A:ILE261 4.2 49.0 1.0 CA A:ILE261 4.2 50.1 1.0 CD1 A:ILE261 4.3 46.0 1.0 CA A:LEU260 4.3 52.3 1.0 C A:LEU260 4.4 50.3 1.0 O A:ILE261 4.4 51.3 1.0 CA A:GLU259 4.4 58.8 1.0 C A:GLU259 4.4 56.2 1.0 CB A:LEU260 4.5 52.3 1.0 CB A:GLU259 4.7 60.5 1.0 N A:GLY258 4.8 59.0 1.0 C A:ILE261 4.8 49.5 1.0 O A:GLY258 4.9 56.4 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Spin-Labeled Btub W371R1


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 W371R1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg597 b:72.5 occ:1.00 OD1 A:ASP411 2.4 58.4 1.0 CG A:ASP411 3.5 52.2 1.0 OD2 A:ASP411 3.8 59.7 1.0 O A:ASN409 4.2 55.7 1.0 O A:PHE365 4.7 49.0 1.0 CB A:ASP411 4.9 48.6 1.0 O A:LEU410 5.0 50.3 1.0

D.M.Freed, A.K.Khan, P.S.Horanyi, D.S.Cafiso. Molecular Origin of Electron Paramagnetic Resonance Line Shapes on β-Barrel Membrane Proteins: the Local Solvation Environment Modulates Spin-Label Configuration Biochemistry V. 50 8792 2011.
ISSN: ISSN 0006-2960
PubMed: 21894979
DOI: 10.1021/BI200971X