Tungsten in PDB 1j9k: Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate

The structure of Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate, PDB code: 1j9k 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)	19.90 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.910, 114.910, 78.540, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 23.1

The structure of Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Tungsten atom in the Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate (pdb code 1j9k). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate, PDB code: 1j9k:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in the Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:35.6 occ:1.00 W A:WO4401 0.0 35.6 1.0 O1 A:WO4401 1.7 37.6 1.0 O2 A:WO4401 1.7 37.6 1.0 O3 A:WO4401 1.7 36.0 1.0 O4 A:WO4401 1.7 35.6 1.0 OD1 A:ASP8 2.8 19.8 1.0 OG A:SER107 3.7 17.6 1.0 CA A:CA301 3.8 29.2 1.0 OD1 A:ASN99 3.8 20.3 1.0 CG A:ASP8 3.9 22.1 1.0 N A:GLY108 3.9 16.0 1.0 CA A:SER107 4.0 17.8 1.0 OD1 A:ASN95 4.1 23.9 1.0 N A:ALA40 4.1 23.9 1.0 O A:HOH552 4.1 24.3 1.0 OG1 A:THR109 4.2 18.2 1.0 ND2 A:ASN95 4.2 22.6 1.0 CB A:SER107 4.2 17.1 1.0 OD2 A:ASP8 4.3 24.2 1.0 ND2 A:ASN99 4.3 17.9 1.0 CB A:SER39 4.3 26.3 1.0 CA A:SER39 4.3 25.5 1.0 CG A:ASN95 4.4 24.0 1.0 OG A:SER39 4.4 23.8 1.0 C A:SER107 4.5 17.9 1.0 N A:THR109 4.5 17.9 1.0 CG A:ASN99 4.5 19.1 1.0 C A:SER39 4.8 25.1 1.0 CB A:THR109 4.9 17.8 1.0 CA A:GLY108 4.9 16.8 1.0

Tungsten binding site 2 out of 2 in the Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Crystal Structure of Sure Protein From T.Maritima in Complex with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ B:W1401 b:26.8 occ:1.00 W B:WO41401 0.0 26.8 1.0 O3 B:WO41401 1.7 20.0 1.0 O1 B:WO41401 1.7 25.3 1.0 O4 B:WO41401 1.7 23.7 1.0 O2 B:WO41401 1.7 24.0 1.0 OD1 B:ASP8 2.8 23.1 1.0 O B:HOH1562 3.7 32.0 1.0 CA B:CA1301 3.8 27.9 1.0 O B:HOH1572 3.8 37.3 1.0 OD1 B:ASN95 3.9 21.9 1.0 N B:GLY108 3.9 16.6 1.0 CG B:ASP8 3.9 20.1 1.0 ND2 B:ASN99 3.9 19.9 1.0 O B:HOH1502 4.0 9.2 1.0 OG1 B:THR109 4.1 20.5 1.0 ND2 B:ASN95 4.1 18.6 1.0 CA B:SER107 4.1 19.4 1.0 N B:ALA40 4.2 27.1 1.0 O B:HOH1542 4.2 36.4 1.0 OD1 B:ASN99 4.2 25.0 1.0 CG B:ASN95 4.2 21.9 1.0 CB B:SER39 4.3 27.3 1.0 OD2 B:ASP8 4.3 23.4 1.0 CB B:SER107 4.3 21.4 1.0 CA B:SER39 4.3 27.4 1.0 N B:THR109 4.4 16.4 1.0 O B:HOH1516 4.4 34.6 1.0 C B:SER107 4.5 17.4 1.0 OG B:SER39 4.5 26.3 1.0 CG B:ASN99 4.5 23.0 1.0 C B:SER39 4.8 28.1 1.0 CB B:THR109 4.8 16.0 1.0 CA B:GLY108 4.9 17.7 1.0 OG B:SER107 4.9 30.7 1.0 O B:HOH1525 4.9 26.7 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