Atomistry » Tungsten » PDB 2hhl-4z3w » 3d6a
Atomistry »
  Tungsten »
    PDB 2hhl-4z3w »
      3d6a »

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

Protein crystallography data

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

Other elements in 3d6a:

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

Tungsten Binding Sites:

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 3d6a

Go back to Tungsten Binding Sites List in 3d6a
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 3d6a

Go back to Tungsten Binding Sites List in 3d6a
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 3d6a

Go back to Tungsten Binding Sites List in 3d6a
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 3d6a

Go back to Tungsten Binding Sites List in 3d6a
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

Reference:

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
Page generated: Thu Oct 29 07:08:22 2020

Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy