Tungsten in PDB 3d6a: Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate.

The structure of Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate., PDB code: 3d6a was solved by Y.Chen, N.Carpino, N.Nassar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.95 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.205, 116.665, 121.471, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.7

The structure of Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate. also contains other interesting chemical elements:

Magnesium	(Mg)	9 atoms
Sodium	(Na)	4 atoms

The binding sites of Tungsten atom in the Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate. (pdb code 3d6a). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 4 binding sites of Tungsten where determined in the Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate., PDB code: 3d6a:
Jump to Tungsten binding site number: 1; 2; 3; 4;

Tungsten binding site 1 out of 4 in the Crystal Structure of the 2H-Phosphatase Domain of Sts-2 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 the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate. within 5.0Å range: probe atom residue distance (Å) B Occ A:W624 b:28.6 occ:1.00 O D:HOH624 2.0 28.8 1.0 O A:HOH625 2.0 26.9 1.0 O A:HOH626 2.0 25.2 1.0 O A:HOH627 2.0 25.4 1.0 NE2 A:HIS366 2.5 19.1 1.0 CE1 A:HIS366 3.4 21.4 1.0 CD2 A:HIS366 3.6 18.5 1.0 NH2 A:ARG365 3.8 26.7 1.0 NA A:NA623 3.8 36.1 1.0 NH1 A:ARG369 3.9 32.1 1.0 ND1 A:HIS551 3.9 21.4 1.0 NE A:ARG365 4.0 26.1 1.0 NE A:ARG448 4.3 25.8 1.0 CB A:HIS551 4.3 22.7 1.0 NZ D:LYS376 4.3 35.5 1.0 CZ A:ARG365 4.4 26.6 1.0 O A:HOH652 4.5 32.5 1.0 NH2 A:ARG448 4.5 26.7 1.0 N A:SER552 4.5 24.7 1.0 ND1 A:HIS366 4.6 18.8 1.0 CG A:HIS551 4.6 22.3 1.0 OG A:SER552 4.6 27.8 1.0 OE2 A:GLU476 4.6 37.0 1.0 CA A:HIS551 4.6 24.0 1.0 CG A:HIS366 4.7 19.9 1.0 CZ A:ARG448 4.9 27.8 1.0 CD A:ARG369 4.9 29.1 1.0

Tungsten binding site 2 out of 4 in the Crystal Structure of the 2H-Phosphatase Domain of Sts-2 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 the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate. within 5.0Å range: probe atom residue distance (Å) B Occ B:W7 b:34.0 occ:1.00 O B:HOH624 2.0 34.4 1.0 O B:HOH625 2.0 29.6 1.0 O B:HOH626 2.0 34.5 1.0 O B:HOH623 2.1 35.6 1.0 NE2 B:HIS366 2.3 22.8 1.0 CE1 B:HIS366 3.2 24.4 1.0 CD2 B:HIS366 3.4 25.5 1.0 NH2 B:ARG365 3.7 30.0 1.0 NH1 B:ARG369 3.9 35.0 1.0 ND1 B:HIS551 4.0 32.8 1.0 NE B:ARG365 4.0 28.7 1.0 NA B:NA1 4.0 48.5 1.0 NE B:ARG448 4.3 30.0 1.0 CB B:HIS551 4.3 31.1 1.0 CZ B:ARG365 4.3 30.3 1.0 ND1 B:HIS366 4.4 22.9 1.0 N B:SER552 4.5 31.0 1.0 CG B:HIS366 4.5 24.0 1.0 NH2 B:ARG448 4.6 32.1 1.0 CG B:HIS551 4.6 32.4 1.0 CA B:HIS551 4.6 30.9 1.0 CD B:ARG369 4.9 31.9 1.0 OG B:SER552 4.9 33.2 1.0 CZ B:ARG448 4.9 31.4 1.0

Tungsten binding site 3 out of 4 in the Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate.


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate. within 5.0Å range: probe atom residue distance (Å) B Occ C:W12 b:32.5 occ:1.00 O C:HOH11 2.0 31.5 1.0 O C:HOH14 2.0 29.6 1.0 O C:HOH15 2.0 26.8 1.0 O C:HOH13 2.0 33.9 1.0 NE2 C:HIS366 2.4 27.3 1.0 CE1 C:HIS366 3.3 26.3 1.0 CD2 C:HIS366 3.4 23.7 1.0 NA C:NA3 3.8 38.9 1.0 NH2 C:ARG365 3.8 27.4 1.0 NH1 C:ARG369 3.9 24.2 1.0 ND1 C:HIS551 3.9 31.9 1.0 NE C:ARG365 4.0 28.9 1.0 NE C:ARG448 4.2 27.7 1.0 CB C:HIS551 4.3 30.0 1.0 CZ C:ARG365 4.4 28.2 1.0 N C:SER552 4.4 30.8 1.0 ND1 C:HIS366 4.5 26.2 1.0 NH2 C:ARG448 4.5 27.2 1.0 CG C:HIS366 4.6 24.4 1.0 CG C:HIS551 4.6 30.2 1.0 CA C:HIS551 4.6 30.4 1.0 OG C:SER552 4.7 33.9 1.0 CD C:ARG369 4.8 24.4 1.0 CZ C:ARG448 4.9 28.5 1.0 CG C:ARG365 5.0 27.6 1.0

Tungsten binding site 4 out of 4 in the Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate.


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Crystal Structure of the 2H-Phosphatase Domain of Sts-2 in Complex with Tungstate. within 5.0Å range: probe atom residue distance (Å) B Occ D:W17 b:30.6 occ:1.00 O D:HOH627 2.0 24.0 1.0 O A:HOH628 2.0 26.3 1.0 O D:HOH626 2.0 25.1 1.0 O D:HOH625 2.1 26.8 1.0 NE2 D:HIS366 2.5 29.6 1.0 CE1 D:HIS366 3.2 25.7 1.0 NA D:NA623 3.5 38.3 1.0 CD2 D:HIS366 3.7 25.8 1.0 NH2 D:ARG365 3.8 30.5 1.0 NE D:ARG365 4.0 31.2 1.0 NH1 D:ARG369 4.0 37.0 1.0 O D:HOH642 4.1 35.9 1.0 ND1 D:HIS551 4.1 31.0 1.0 NZ A:LYS376 4.3 33.1 1.0 OG D:SER552 4.3 33.9 1.0 NE D:ARG448 4.3 27.2 1.0 CZ D:ARG365 4.4 31.7 1.0 CB D:HIS551 4.4 30.9 1.0 N D:SER552 4.4 31.9 1.0 ND1 D:HIS366 4.4 26.4 1.0 NH2 D:ARG448 4.5 26.7 1.0 CA D:HIS551 4.5 31.3 1.0 OE2 D:GLU476 4.6 38.0 1.0 CG D:HIS366 4.7 25.2 1.0 CG D:HIS551 4.7 31.3 1.0 CD D:ARG369 4.8 31.6 1.0 CZ D:ARG448 4.9 28.3 1.0

Y.Chen, J.Jakoncic, N.Carpino, N.Nassar. Structural and Functional Characterization of the 2H-Phosphatase Domain of Sts-2 Reveals An Acid-Dependent Phosphatase Activity. Biochemistry V. 48 1681 2009.
ISSN: ISSN 0006-2960
PubMed: 19196006
DOI: 10.1021/BI802219N