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Tungsten in PDB 3c7t: Crystal Structure of the Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate

Protein crystallography data

The structure of Crystal Structure of the Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate, PDB code: 3c7t 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) 32.20 / 1.76
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.901, 134.410, 135.188, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21.1

Other elements in 3c7t:

The structure of Crystal Structure of the Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Iodine (I) 6 atoms
Chlorine (Cl) 15 atoms
Sodium (Na) 1 atom

Tungsten Binding Sites:

The binding sites of Tungsten atom in the Crystal Structure of the Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate (pdb code 3c7t). 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 Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate, PDB code: 3c7t:
Jump to Tungsten binding site number: 1; 2; 3; 4;

Tungsten binding site 1 out of 4 in 3c7t

Go back to Tungsten Binding Sites List in 3c7t
Tungsten binding site 1 out of 4 in the Crystal Structure of the Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori 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 Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1

b:20.6
occ:1.00
W A:WO41 0.0 20.6 1.0
O1 A:WO41 1.9 20.1 1.0
O4 A:WO41 2.0 18.3 1.0
O3 A:WO41 2.0 13.3 1.0
O2 A:WO41 2.0 18.7 1.0
NE2 A:HIS80 2.5 13.9 1.0
CD2 A:HIS80 3.4 16.8 1.0
CE1 A:HIS80 3.5 18.8 1.0
NH1 A:ARG83 3.8 23.0 1.0
O A:HOH393 3.8 32.6 1.0
NH2 A:ARG79 3.9 20.5 1.0
O A:HOH409 3.9 27.7 1.0
NE A:ARG79 3.9 16.9 1.0
ND1 A:HIS260 4.1 19.3 1.0
O A:HOH370 4.1 21.8 1.0
NE A:ARG160 4.2 19.7 1.0
NZ A:LYS292 4.2 22.9 1.0
N A:ALA261 4.4 22.3 1.0
CZ A:ARG79 4.4 19.0 1.0
CB A:HIS260 4.4 19.2 1.0
NH2 A:ARG160 4.5 19.0 1.0
CA A:HIS260 4.5 19.7 1.0
CG A:HIS80 4.6 14.9 1.0
ND1 A:HIS80 4.6 14.2 1.0
OE1 A:GLU188 4.7 29.6 1.0
CG A:HIS260 4.7 18.1 1.0
O A:HOH389 4.8 31.7 1.0
CZ A:ARG160 4.8 19.6 1.0
CE A:LYS292 4.8 24.2 1.0
CD A:ARG83 4.8 18.7 1.0
CD A:LYS292 4.9 21.9 1.0
C A:HIS260 4.9 20.0 1.0
CZ A:ARG83 5.0 19.7 1.0

Tungsten binding site 2 out of 4 in 3c7t

Go back to Tungsten Binding Sites List in 3c7t
Tungsten binding site 2 out of 4 in the Crystal Structure of the Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori 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 Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W2

b:17.2
occ:1.00
W B:WO42 0.0 17.2 1.0
O4 B:WO42 2.0 17.8 1.0
O3 B:WO42 2.0 14.9 1.0
O1 B:WO42 2.0 13.8 1.0
O2 B:WO42 2.0 15.4 1.0
NE2 B:HIS80 2.5 10.9 1.0
CD2 B:HIS80 3.4 13.7 1.0
CE1 B:HIS80 3.5 13.8 1.0
NH1 B:ARG83 3.7 17.5 1.0
O B:HOH396 3.8 24.9 1.0
NH2 B:ARG79 3.8 16.8 1.0
O B:HOH402 3.9 23.5 1.0
NE B:ARG79 4.0 14.7 1.0
ND1 B:HIS260 4.1 17.5 1.0
O B:HOH369 4.1 20.8 1.0
NZ B:LYS292 4.1 24.3 1.0
NE B:ARG160 4.2 14.8 1.0
CZ B:ARG79 4.4 15.4 1.0
N B:ALA261 4.4 16.6 1.0
CB B:HIS260 4.4 14.5 1.0
CA B:HIS260 4.5 14.8 1.0
NH2 B:ARG160 4.5 13.2 1.0
ND1 B:HIS80 4.6 11.6 1.0
CG B:HIS80 4.6 11.1 1.0
CG B:HIS260 4.7 15.0 1.0
CD B:LYS292 4.8 21.0 1.0
CE B:LYS292 4.8 21.4 1.0
O B:HOH375 4.8 27.1 1.0
CD B:ARG83 4.8 15.5 1.0
CZ B:ARG160 4.8 16.7 1.0
OE1 B:GLU188 4.8 26.4 1.0
CZ B:ARG83 4.9 17.9 1.0
C B:HIS260 5.0 15.7 1.0

Tungsten binding site 3 out of 4 in 3c7t

Go back to Tungsten Binding Sites List in 3c7t
Tungsten binding site 3 out of 4 in the Crystal Structure of the Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori 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 Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:W3

b:18.0
occ:1.00
W C:WO43 0.0 18.0 1.0
O1 C:WO43 1.9 11.3 1.0
O2 C:WO43 2.0 14.5 1.0
O3 C:WO43 2.0 19.6 1.0
O4 C:WO43 2.0 15.2 1.0
NE2 C:HIS80 2.4 12.1 1.0
CE1 C:HIS80 3.4 14.9 1.0
CD2 C:HIS80 3.4 14.6 1.0
NH1 C:ARG83 3.7 17.1 1.0
O C:HOH392 3.7 29.1 1.0
O C:HOH384 3.8 26.9 1.0
NH2 C:ARG79 3.9 17.6 1.0
NE C:ARG79 4.0 18.3 1.0
O C:HOH369 4.1 25.4 1.0
NZ C:LYS292 4.1 25.7 1.0
ND1 C:HIS260 4.2 15.2 1.0
NE C:ARG160 4.2 15.9 1.0
N C:ALA261 4.3 17.5 1.0
CB C:HIS260 4.4 15.6 1.0
CZ C:ARG79 4.4 19.4 1.0
CA C:HIS260 4.5 16.4 1.0
NH2 C:ARG160 4.5 16.2 1.0
ND1 C:HIS80 4.5 12.4 1.0
CG C:HIS80 4.6 13.3 1.0
OE1 C:GLU188 4.6 24.1 1.0
CG C:HIS260 4.7 16.1 1.0
CD C:ARG83 4.8 13.5 1.0
O C:HOH350 4.8 25.8 1.0
CZ C:ARG160 4.8 17.5 1.0
CD C:LYS292 4.9 20.0 1.0
CZ C:ARG83 4.9 17.4 1.0
CE C:LYS292 4.9 22.5 1.0
C C:HIS260 5.0 16.8 1.0

Tungsten binding site 4 out of 4 in 3c7t

Go back to Tungsten Binding Sites List in 3c7t
Tungsten binding site 4 out of 4 in the Crystal Structure of the Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori 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 Ecdysone Phosphate Phosphatase, Eppase, From Bombix Mori in Complex with Tungstate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:W4

b:17.3
occ:1.00
W D:WO44 0.0 17.3 1.0
O1 D:WO44 1.8 11.4 1.0
O4 D:WO44 2.0 15.8 1.0
O3 D:WO44 2.0 17.8 1.0
O2 D:WO44 2.0 13.2 1.0
NE2 D:HIS80 2.4 10.7 1.0
CE1 D:HIS80 3.4 15.3 1.0
CD2 D:HIS80 3.4 13.0 1.0
NH1 D:ARG83 3.7 16.1 1.0
O D:HOH423 3.8 25.7 1.0
NH2 D:ARG79 3.9 14.1 1.0
O D:HOH401 3.9 27.2 1.0
NE D:ARG79 3.9 15.5 1.0
O D:HOH372 4.0 19.1 1.0
ND1 D:HIS260 4.2 15.9 1.0
NE D:ARG160 4.2 15.1 1.0
NZ D:LYS292 4.2 20.0 1.0
N D:ALA261 4.3 16.3 1.0
CZ D:ARG79 4.4 13.9 1.0
CB D:HIS260 4.4 13.8 1.0
NH2 D:ARG160 4.5 15.9 1.0
ND1 D:HIS80 4.5 12.3 1.0
CA D:HIS260 4.6 13.7 1.0
CG D:HIS80 4.6 10.6 1.0
OE1 D:GLU188 4.7 24.8 1.0
CD D:LYS292 4.8 18.9 1.0
CG D:HIS260 4.8 13.7 1.0
CE D:LYS292 4.8 20.9 1.0
CD D:ARG83 4.8 14.1 1.0
O D:HOH371 4.9 28.3 1.0
CZ D:ARG160 4.9 15.0 1.0
CZ D:ARG83 4.9 17.6 1.0
C D:HIS260 5.0 15.0 1.0

Reference:

Y.Chen, J.Jakoncic, J.Wang, X.Zheng, N.Carpino, N.Nassar. Structural and Functional Characterization of the C-Terminal Domain of the Ecdysteroid Phosphate Phosphatase From Bombyx Mori Reveals A New Enzymatic Activity. Biochemistry V. 47 12135 2008.
ISSN: ISSN 0006-2960
PubMed: 18937503
DOI: 10.1021/BI801318W
Page generated: Thu Oct 29 07:08:16 2020

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