Magnesium in PDB 1j9j: Crystal Structure Analysis of Sure Protein From T.Maritima

The structure of Crystal Structure Analysis of Sure Protein From T.Maritima, PDB code: 1j9j was solved by S.W.Suh, J.Y.Lee, J.E.Kwak, J.Moon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.60 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.956, 115.956, 78.597, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 23.4

The binding sites of Magnesium atom in the Crystal Structure Analysis of Sure Protein From T.Maritima (pdb code 1j9j). 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 Analysis of Sure Protein From T.Maritima, PDB code: 1j9j:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure Analysis of Sure Protein From T.Maritima


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Analysis of Sure Protein From T.Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:23.4 occ:1.00 OD1 A:ASN95 2.0 21.2 1.0 OD1 A:ASP9 2.1 25.6 1.0 OD2 A:ASP8 2.1 22.5 1.0 O A:HOH496 2.1 20.8 1.0 O A:HOH497 2.2 28.8 1.0 OG A:SER39 2.2 20.5 1.0 CG A:ASP8 3.0 26.4 1.0 CG A:ASN95 3.1 20.4 1.0 CG A:ASP9 3.1 25.9 1.0 CB A:SER39 3.2 25.8 1.0 OD1 A:ASP8 3.3 26.8 1.0 ND2 A:ASN95 3.6 21.0 1.0 OD2 A:ASP9 3.7 26.8 1.0 CA A:SER39 3.8 24.8 1.0 O A:HOH498 4.1 38.7 1.0 N A:ASP9 4.2 24.5 1.0 O A:HOH429 4.2 35.4 1.0 C A:ASP8 4.3 25.1 1.0 CB A:ASP9 4.3 27.0 1.0 OG1 A:THR109 4.3 24.4 1.0 CA A:ASP9 4.4 26.1 1.0 OE2 A:GLU37 4.4 31.9 1.0 O A:HOH501 4.4 39.5 1.0 CB A:ASP8 4.4 23.7 1.0 CB A:ASN95 4.4 21.6 1.0 O A:ARG96 4.6 23.3 1.0 N A:SER39 4.6 25.1 1.0 O A:ASP8 4.6 23.7 1.0 O A:HOH499 4.7 33.9 1.0 N A:ARG96 4.7 22.3 1.0 CA A:ASP8 4.8 24.2 1.0 C A:SER39 4.9 25.6 1.0 CA A:ASN95 5.0 20.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure Analysis of Sure Protein From T.Maritima


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure Analysis of Sure Protein From T.Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:32.4 occ:1.00 OD1 B:ASP9 1.8 34.8 1.0 O B:HOH384 2.0 37.0 1.0 OD1 B:ASP8 2.1 29.1 1.0 O B:HOH385 2.1 34.8 1.0 OD1 B:ASN95 2.1 18.3 1.0 O B:HOH386 2.3 42.2 1.0 CG B:ASP9 2.9 32.7 1.0 CG B:ASP8 3.0 30.3 1.0 OD2 B:ASP8 3.1 36.2 1.0 CG B:ASN95 3.3 21.0 1.0 OD2 B:ASP9 3.4 36.1 1.0 O B:HOH388 3.7 52.6 1.0 ND2 B:ASN95 3.8 21.7 1.0 O B:HOH314 3.9 21.5 1.0 O B:HOH334 4.0 30.6 1.0 CB B:ASP9 4.2 30.0 1.0 N B:ASP9 4.2 26.1 1.0 C B:ASP8 4.3 25.7 1.0 CA B:ASP9 4.3 27.6 1.0 OG1 B:THR109 4.4 24.5 1.0 CB B:ASP8 4.4 27.1 1.0 O B:ASP8 4.4 26.9 1.0 CB B:ASN95 4.5 18.7 1.0 O B:ARG96 4.5 21.5 1.0 N B:ARG96 4.5 19.3 1.0 O B:ARG38 4.8 52.7 1.0 CA B:ASP8 4.9 24.5 1.0 CA B:ASN95 5.0 18.5 1.0

J.Y.Lee, J.E.Kwak, J.Moon, S.H.Eom, E.C.Liong, J.D.Pedelacq, J.Berendzen, S.W.Suh. Crystal Structure and Functional Analysis of the Sure Protein Identify A Novel Phosphatase Family. Nat.Struct.Biol. V. 8 789 2001.
ISSN: ISSN 1072-8368
PubMed: 11524683
DOI: 10.1038/NSB0901-789