Magnesium in PDB 3hu3: Structure of P97 N-D1 R155H Mutant in Complex with Atpgs

The structure of Structure of P97 N-D1 R155H Mutant in Complex with Atpgs, PDB code: 3hu3 was solved by W.-K.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.00 / 2.20
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	134.206, 134.206, 182.890, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.3

The binding sites of Magnesium atom in the Structure of P97 N-D1 R155H Mutant in Complex with Atpgs (pdb code 3hu3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of P97 N-D1 R155H Mutant in Complex with Atpgs, PDB code: 3hu3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of P97 N-D1 R155H Mutant in Complex with Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of P97 N-D1 R155H Mutant in Complex with Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:34.6 occ:1.00 O A:HOH803 2.0 28.6 1.0 O2B A:AGS800 2.0 29.7 1.0 O A:HOH804 2.0 31.5 1.0 O2G A:AGS800 2.1 25.6 1.0 O A:HOH802 2.2 29.1 1.0 OG1 A:THR252 2.2 31.3 1.0 PG A:AGS800 3.2 29.2 1.0 CB A:THR252 3.2 30.4 1.0 PB A:AGS800 3.2 28.4 1.0 O3B A:AGS800 3.3 28.6 1.0 O2A A:AGS800 3.7 33.8 1.0 N A:THR252 3.9 30.1 1.0 O3G A:AGS800 4.0 28.3 1.0 O3A A:AGS800 4.1 30.4 1.0 OD1 A:ASP304 4.1 27.6 1.0 OD2 A:ASP304 4.1 26.5 1.0 CA A:THR252 4.1 30.2 1.0 O A:HOH953 4.2 38.2 1.0 CG2 A:THR252 4.3 29.2 1.0 O A:HOH893 4.3 44.1 1.0 PA A:AGS800 4.4 29.4 1.0 O1B A:AGS800 4.5 27.5 1.0 OE2 A:GLU305 4.5 39.8 1.0 O A:HOH894 4.5 42.7 1.0 CG A:ASP304 4.6 29.5 1.0 O1A A:AGS800 4.8 31.3 1.0 S1G A:AGS800 4.8 33.0 1.0 CG A:GLU305 4.9 37.2 1.0 CB A:LYS251 5.0 29.7 1.0

Magnesium binding site 2 out of 2 in the Structure of P97 N-D1 R155H Mutant in Complex with Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of P97 N-D1 R155H Mutant in Complex with Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg801 b:43.2 occ:1.00 O2B B:AGS800 1.9 34.7 1.0 O2G B:AGS800 2.0 30.1 1.0 O B:HOH803 2.0 39.5 1.0 O B:HOH804 2.1 35.8 1.0 OG1 B:THR252 2.2 30.9 1.0 O B:HOH802 2.2 29.7 1.0 PB B:AGS800 3.1 30.7 1.0 PG B:AGS800 3.1 30.2 1.0 O3B B:AGS800 3.2 33.7 1.0 CB B:THR252 3.3 30.7 1.0 O B:HOH909 3.9 30.3 1.0 N B:THR252 3.9 29.9 1.0 O3G B:AGS800 3.9 34.0 1.0 O2A B:AGS800 3.9 34.0 1.0 O3A B:AGS800 4.1 33.1 1.0 OD1 B:ASP304 4.1 27.9 1.0 OD2 B:ASP304 4.1 27.1 1.0 CA B:THR252 4.2 30.1 1.0 O B:HOH872 4.2 37.3 1.0 O1B B:AGS800 4.3 30.3 1.0 PA B:AGS800 4.4 34.0 1.0 CG2 B:THR252 4.4 29.2 1.0 CG B:ASP304 4.5 29.6 1.0 OE2 B:GLU305 4.5 39.9 1.0 S1G B:AGS800 4.7 32.9 1.0 O1A B:AGS800 4.8 30.5 1.0 CB B:LYS251 4.8 29.6 1.0 CG B:GLU305 4.8 37.4 1.0 C B:LYS251 5.0 29.6 1.0

W.K.Tang, D.Li, C.C.Li, L.Esser, R.Dai, L.Guo, D.Xia. A Novel Atp-Dependent Conformation in P97 N-D1 Fragment Revealed By Crystal Structures of Disease-Related Mutants. Embo J. V. 29 2217 2010.
ISSN: ISSN 0261-4189
PubMed: 20512113
DOI: 10.1038/EMBOJ.2010.104