Magnesium in PDB 2q40: Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT2G17340

The structure of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT2G17340, PDB code: 2q40 was solved by E.J.Levin, D.A.Kondrashov, G.E.Wesenberg, G.N.Phillips Jr., Center Foreukaryotic Structural Genomics (Cesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.91 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.174, 43.280, 52.644, 74.57, 74.60, 84.04
R / Rfree (%)	16.5 / 22.1

The binding sites of Magnesium atom in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT2G17340 (pdb code 2q40). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT2G17340, PDB code: 2q40:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT2G17340


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT2G17340 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg400 b:10.4 occ:0.06 O A:HOH486 1.9 19.1 0.1 OD1 A:ASN221 1.9 11.3 0.1 O A:HOH469 2.0 19.5 0.1 OD1 A:ASP256 2.1 11.9 0.1 OD1 A:ASP220 2.2 9.5 0.1 O A:HOH419 2.2 21.2 0.1 CG A:ASP220 2.8 10.6 0.1 OD2 A:ASP220 2.9 11.7 0.1 CG A:ASN221 3.1 12.4 0.1 CG A:ASP256 3.1 12.8 0.1 OD2 A:ASP256 3.5 12.8 0.1 ND2 A:ASN221 3.7 13.4 0.1 OD1 A:ASN255 4.0 14.4 0.1 O A:HOH487 4.1 26.8 0.1 N A:ASN221 4.1 11.2 0.1 CB A:ASP220 4.2 10.7 0.1 C A:ASP220 4.2 9.7 0.1 CB A:ASN221 4.3 11.5 0.1 CA A:ASN221 4.3 10.7 0.1 CB A:ASP256 4.4 13.4 0.1 O A:HOH587 4.4 41.8 0.1 O A:ASP220 4.5 5.7 0.1 CA A:ASP256 4.5 13.4 0.1 N A:ASP256 4.6 14.3 0.1 CA A:ASP220 4.6 7.8 0.1 NH1 A:ARG322 4.6 9.0 0.1 CG A:ASN255 4.8 15.1 0.1 CD1 A:ILE254 5.0 12.9 0.1 O A:HOH511 5.0 34.6 0.1 CB A:ILE254 5.0 12.4 0.1 CB A:PRO294 5.0 9.7 0.1

Magnesium binding site 2 out of 2 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT2G17340


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT2G17340 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:43.8 occ:0.06 O A:HOH416 1.9 25.2 0.1 O A:HOH447 2.1 28.9 0.1 O A:HOH444 2.2 36.1 0.1 OE1 A:GLU325 3.5 16.3 0.1 OE2 A:GLU325 3.8 14.9 0.1 SG A:CYS104 3.9 8.0 0.1 CD A:GLU325 4.0 14.7 0.1 NH2 A:ARG107 4.3 15.2 0.1 NE2 A:HIS344 4.3 20.0 0.1 CG A:PRO294 4.3 10.6 0.1 CG1 A:VAL295 4.4 7.8 0.1 O A:HOH569 4.4 40.3 0.1 CZ A:PHE49 4.6 18.2 0.1 O A:HOH607 4.8 33.6 0.1 O A:HOH676 4.8 42.1 0.1 CE2 A:PHE49 4.8 19.7 0.1 CB A:PRO294 4.9 9.7 0.1

E.J.Levin, D.A.Kondrashov, G.E.Wesenberg, G.N.Phillips. Ensemble Refinement of Protein Crystal Structures: Validation and Application. Structure V. 15 1040 2007.
ISSN: ISSN 0969-2126
PubMed: 17850744
DOI: 10.1016/J.STR.2007.06.019