Zinc in PDB 2yhe: Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.

The structure of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp., PDB code: 2yhe was solved by B.Kepplinger, K.Faber, P.Macheroux, M.Schober, T.Knaus, U.G.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.734, 200.587, 245.332, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. (pdb code 2yhe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp., PDB code: 2yhe:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn700 b:39.0 occ:1.00 NE2 A:HIS184 2.0 24.5 1.0 OD2 A:ASP183 2.0 42.5 1.0 NE2 A:HIS355 2.0 36.6 1.0 OD2 A:ASP310 2.1 38.2 1.0 O A:HOH2073 2.3 42.9 1.0 CG A:ASP183 2.9 41.6 1.0 CD2 A:HIS355 2.9 36.7 1.0 CD2 A:HIS184 3.0 25.0 1.0 CE1 A:HIS184 3.0 24.5 1.0 CE1 A:HIS355 3.1 36.4 1.0 CG A:ASP310 3.1 38.7 1.0 ZN A:ZN701 3.3 38.3 1.0 OD1 A:ASP183 3.3 42.8 1.0 OD1 A:ASP310 3.5 41.1 1.0 NE2 A:HIS179 3.9 26.5 1.0 CG A:HIS355 4.1 35.2 1.0 CG A:HIS184 4.1 25.1 1.0 ND1 A:HIS184 4.1 26.3 1.0 CB A:ASP183 4.2 28.4 1.0 ND1 A:HIS355 4.2 36.7 1.0 CE1 A:HIS179 4.2 26.4 1.0 CB A:ALA133 4.4 26.8 1.0 CB A:ASP310 4.5 30.4 1.0 OE2 A:GLU291 4.8 41.7 1.0 O A:GLN354 4.9 36.0 1.0 ND1 A:HIS181 4.9 36.5 1.0 CB A:HIS181 4.9 31.4 1.0

Zinc binding site 2 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:38.3 occ:1.00 OE2 A:GLU291 2.1 41.7 1.0 ND1 A:HIS181 2.2 36.5 1.0 NE2 A:HIS179 2.2 26.5 1.0 OD2 A:ASP310 2.4 38.2 1.0 O A:HOH2073 2.5 42.9 1.0 CD A:GLU291 2.8 44.1 1.0 OE1 A:GLU291 2.8 28.6 1.0 CD2 A:HIS179 2.9 27.4 1.0 CE1 A:HIS181 3.1 35.5 1.0 CG A:HIS181 3.2 34.8 1.0 CG A:ASP310 3.3 38.7 1.0 ZN A:ZN700 3.3 39.0 1.0 CE1 A:HIS179 3.3 26.4 1.0 CB A:HIS181 3.6 31.4 1.0 CB A:ASP310 3.6 30.4 1.0 NE2 A:HIS184 3.9 24.5 1.0 CG A:HIS179 4.1 28.4 1.0 CD2 A:HIS184 4.2 25.0 1.0 CG A:GLU291 4.2 30.3 1.0 NE2 A:HIS181 4.3 35.7 1.0 OD1 A:ASP310 4.3 41.1 1.0 ND1 A:HIS179 4.3 28.2 1.0 CD2 A:HIS181 4.3 35.7 1.0 OD1 A:ASP183 4.5 42.8 1.0 NE2 A:HIS317 4.5 24.8 1.0 O A:HOH2071 4.6 17.8 1.0 OD2 A:ASP183 4.7 42.5 1.0 O4 A:SO4801 4.8 38.6 1.0 O1 A:SO4801 4.9 40.8 1.0 NE2 A:HIS355 4.9 36.6 1.0 CE1 A:HIS184 4.9 24.5 1.0

Zinc binding site 3 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn700 b:44.9 occ:1.00 NE2 B:HIS355 2.0 34.2 1.0 OD2 B:ASP310 2.0 57.2 1.0 OD2 B:ASP183 2.0 45.3 1.0 NE2 B:HIS184 2.0 36.8 1.0 O B:HOH2054 2.8 27.9 1.0 CD2 B:HIS355 2.8 35.0 1.0 CG B:ASP183 3.0 44.4 1.0 CE1 B:HIS184 3.0 36.6 1.0 CG B:ASP310 3.0 50.0 1.0 CD2 B:HIS184 3.1 36.8 1.0 CE1 B:HIS355 3.1 33.7 1.0 ZN B:ZN701 3.3 40.8 1.0 OD1 B:ASP183 3.4 46.8 1.0 OD1 B:ASP310 3.4 47.6 1.0 NE2 B:HIS179 3.9 36.6 1.0 CG B:HIS355 4.0 33.5 1.0 ND1 B:HIS355 4.1 34.7 1.0 ND1 B:HIS184 4.2 37.7 1.0 CG B:HIS184 4.2 35.4 1.0 CB B:ASP183 4.2 30.7 1.0 CE1 B:HIS179 4.3 36.4 1.0 CB B:ASP310 4.3 43.1 1.0 CB B:ALA133 4.5 34.4 1.0 OE2 B:GLU291 4.8 30.4 1.0 O B:GLN354 4.9 27.6 1.0 ND1 B:HIS181 4.9 28.7 1.0 CB B:HIS181 5.0 25.9 1.0

Zinc binding site 4 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn701 b:40.8 occ:1.00 ND1 B:HIS181 2.1 28.7 1.0 NE2 B:HIS179 2.2 36.6 1.0 OE2 B:GLU291 2.2 30.4 1.0 OD2 B:ASP310 2.4 57.2 1.0 OE1 B:GLU291 2.8 35.8 1.0 CD B:GLU291 2.8 39.9 1.0 CD2 B:HIS179 2.9 36.3 1.0 O B:HOH2054 3.0 27.9 1.0 CE1 B:HIS181 3.1 27.3 1.0 CG B:HIS181 3.2 28.0 1.0 CG B:ASP310 3.3 50.0 1.0 CE1 B:HIS179 3.3 36.4 1.0 ZN B:ZN700 3.3 44.9 1.0 CB B:HIS181 3.5 25.9 1.0 CB B:ASP310 3.6 43.1 1.0 NE2 B:HIS184 3.9 36.8 1.0 CG B:HIS179 4.1 35.0 1.0 CD2 B:HIS184 4.2 36.8 1.0 NE2 B:HIS181 4.2 27.3 1.0 CG B:GLU291 4.3 32.5 1.0 ND1 B:HIS179 4.3 36.9 1.0 CD2 B:HIS181 4.3 27.7 1.0 OD1 B:ASP310 4.3 47.6 1.0 OD1 B:ASP183 4.4 46.8 1.0 O B:HOH2052 4.5 18.3 1.0 NE2 B:HIS317 4.6 37.7 1.0 OD2 B:ASP183 4.7 45.3 1.0 O2 B:SO4801 4.8 38.8 1.0 O1 B:SO4801 4.9 41.3 1.0 CE1 B:HIS184 4.9 36.6 1.0 NE2 B:HIS355 4.9 34.2 1.0 CG B:ASP183 5.0 44.4 1.0

Zinc binding site 5 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn700 b:46.7 occ:1.00 NE2 C:HIS184 1.9 48.8 1.0 NE2 C:HIS355 2.0 43.9 1.0 OD2 C:ASP183 2.0 51.2 1.0 OD2 C:ASP310 2.1 55.3 1.0 O C:HOH2032 2.6 34.9 1.0 CD2 C:HIS355 2.9 44.0 1.0 CE1 C:HIS184 2.9 47.7 1.0 CG C:ASP183 3.0 56.8 1.0 CD2 C:HIS184 3.0 49.2 1.0 CG C:ASP310 3.1 45.6 1.0 CE1 C:HIS355 3.1 43.5 1.0 ZN C:ZN701 3.4 45.3 1.0 OD1 C:ASP183 3.4 59.6 1.0 OD1 C:ASP310 3.4 44.0 1.0 NE2 C:HIS179 3.9 50.8 1.0 CG C:HIS355 4.0 42.5 1.0 ND1 C:HIS184 4.1 47.6 1.0 CG C:HIS184 4.1 47.2 1.0 ND1 C:HIS355 4.1 44.1 1.0 CB C:ASP183 4.2 47.3 1.0 CE1 C:HIS179 4.2 50.4 1.0 CB C:ALA133 4.4 44.5 1.0 CB C:ASP310 4.4 38.5 1.0 O C:GLN354 4.8 44.5 1.0 OE2 C:GLU291 4.8 47.0 1.0 ND1 C:HIS181 5.0 54.6 1.0 CB C:HIS181 5.0 49.3 1.0

Zinc binding site 6 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn701 b:45.3 occ:1.00 OE2 C:GLU291 2.1 47.0 1.0 NE2 C:HIS179 2.2 50.8 1.0 ND1 C:HIS181 2.2 54.6 1.0 OD2 C:ASP310 2.4 55.3 1.0 O C:HOH2032 2.6 34.9 1.0 CD C:GLU291 2.8 48.3 1.0 OE1 C:GLU291 2.8 37.9 1.0 CD2 C:HIS179 2.9 51.7 1.0 CE1 C:HIS181 3.1 53.7 1.0 CG C:HIS181 3.2 52.5 1.0 CG C:ASP310 3.3 45.6 1.0 CE1 C:HIS179 3.3 50.4 1.0 ZN C:ZN700 3.4 46.7 1.0 CB C:HIS181 3.6 49.3 1.0 CB C:ASP310 3.6 38.5 1.0 NE2 C:HIS184 3.9 48.8 1.0 CG C:HIS179 4.1 50.5 1.0 CD2 C:HIS184 4.2 49.2 1.0 CG C:GLU291 4.2 35.0 1.0 NE2 C:HIS181 4.3 53.5 1.0 ND1 C:HIS179 4.3 51.3 1.0 OD1 C:ASP310 4.3 44.0 1.0 CD2 C:HIS181 4.3 53.5 1.0 OD1 C:ASP183 4.4 59.6 1.0 NE2 C:HIS317 4.5 35.9 1.0 OD2 C:ASP183 4.6 51.2 1.0 O C:HOH2030 4.9 32.8 1.0 O4 C:SO4801 4.9 52.0 1.0 O2 C:SO4801 4.9 50.6 1.0 NE2 C:HIS355 4.9 43.9 1.0 CE1 C:HIS184 4.9 47.7 1.0 CG C:ASP183 5.0 56.8 1.0

Zinc binding site 7 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn700 b:45.5 occ:1.00 OD2 D:ASP183 2.0 57.2 1.0 NE2 D:HIS355 2.0 38.9 1.0 NE2 D:HIS184 2.0 29.6 1.0 OD2 D:ASP310 2.1 46.3 1.0 O D:HOH2042 2.5 36.0 1.0 CG D:ASP183 2.9 49.0 1.0 CD2 D:HIS355 2.9 39.2 1.0 CD2 D:HIS184 3.0 29.2 1.0 CE1 D:HIS184 3.0 29.9 1.0 CE1 D:HIS355 3.1 39.1 1.0 CG D:ASP310 3.1 40.6 1.0 ZN D:ZN701 3.3 34.3 1.0 OD1 D:ASP183 3.3 50.3 1.0 OD1 D:ASP310 3.5 39.6 1.0 NE2 D:HIS179 3.9 34.8 1.0 CG D:HIS355 4.1 38.2 1.0 CG D:HIS184 4.2 29.3 1.0 ND1 D:HIS184 4.2 30.8 1.0 CB D:ASP183 4.2 29.7 1.0 ND1 D:HIS355 4.2 40.1 1.0 CE1 D:HIS179 4.3 34.9 1.0 CB D:ALA133 4.5 30.6 1.0 CB D:ASP310 4.5 33.1 1.0 OE2 D:GLU291 4.8 23.4 1.0 O D:GLN354 4.9 33.0 1.0 ND1 D:HIS181 4.9 31.0 1.0 CB D:HIS181 4.9 26.9 1.0

Zinc binding site 8 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn701 b:34.3 occ:1.00 NE2 D:HIS179 2.1 34.8 1.0 OE2 D:GLU291 2.2 23.4 1.0 ND1 D:HIS181 2.2 31.0 1.0 OD2 D:ASP310 2.3 46.3 1.0 OE1 D:GLU291 2.8 35.4 1.0 CD D:GLU291 2.8 46.0 1.0 O D:HOH2042 2.9 36.0 1.0 CD2 D:HIS179 2.9 35.1 1.0 CE1 D:HIS181 3.2 30.0 1.0 CG D:ASP310 3.2 40.6 1.0 CG D:HIS181 3.2 29.9 1.0 ZN D:ZN700 3.3 45.5 1.0 CE1 D:HIS179 3.3 34.9 1.0 CB D:ASP310 3.6 33.1 1.0 CB D:HIS181 3.6 26.9 1.0 NE2 D:HIS184 3.9 29.6 1.0 CG D:HIS179 4.1 34.3 1.0 CD2 D:HIS184 4.2 29.2 1.0 OD1 D:ASP310 4.2 39.6 1.0 ND1 D:HIS179 4.3 35.8 1.0 CG D:GLU291 4.3 29.0 1.0 NE2 D:HIS181 4.3 30.3 1.0 CD2 D:HIS181 4.4 30.9 1.0 OD1 D:ASP183 4.5 50.3 1.0 O D:HOH2038 4.5 31.9 1.0 NE2 D:HIS317 4.6 35.4 1.0 OD2 D:ASP183 4.6 57.2 1.0 CE1 D:HIS184 4.8 29.9 1.0 NE2 D:HIS355 4.9 38.9 1.0 O1 D:SO4801 4.9 31.6 1.0 O4 D:SO4801 4.9 37.1 1.0 CG D:ASP183 5.0 49.0 1.0

Zinc binding site 9 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn700 b:43.6 occ:1.00 NE2 E:HIS355 2.0 42.6 1.0 NE2 E:HIS184 2.0 37.0 1.0 OD2 E:ASP183 2.0 54.9 1.0 OD2 E:ASP310 2.1 44.7 1.0 O E:HOH2050 2.3 31.2 1.0 CD2 E:HIS355 2.9 42.0 1.0 CG E:ASP183 3.0 48.8 1.0 CE1 E:HIS184 3.0 36.6 1.0 CD2 E:HIS184 3.0 37.0 1.0 CG E:ASP310 3.1 32.9 1.0 CE1 E:HIS355 3.1 42.6 1.0 ZN E:ZN701 3.3 37.3 1.0 OD1 E:ASP183 3.4 50.0 1.0 OD1 E:ASP310 3.5 28.8 1.0 NE2 E:HIS179 3.9 37.6 1.0 CG E:HIS355 4.1 40.4 1.0 ND1 E:HIS184 4.2 37.3 1.0 CG E:HIS184 4.2 35.1 1.0 ND1 E:HIS355 4.2 43.3 1.0 CE1 E:HIS179 4.2 37.6 1.0 CB E:ASP183 4.2 36.1 1.0 CB E:ASP310 4.4 32.7 1.0 CB E:ALA133 4.5 29.7 1.0 OE2 E:GLU291 4.8 31.3 1.0 ND1 E:HIS181 4.8 38.0 1.0 O E:GLN354 4.9 35.8 1.0 CB E:HIS181 4.9 34.5 1.0

Zinc binding site 10 out of 12 in the Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Structure Determination of the Stereoselective Inverting Sec- Alkylsulfatase PISA1 From Pseudomonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn701 b:37.3 occ:1.00 NE2 E:HIS179 2.1 37.6 1.0 OE2 E:GLU291 2.2 31.3 1.0 ND1 E:HIS181 2.2 38.0 1.0 O E:HOH2050 2.2 31.2 1.0 OD2 E:ASP310 2.4 44.7 1.0 OE1 E:GLU291 2.8 33.3 1.0 CD E:GLU291 2.8 40.1 1.0 CD2 E:HIS179 2.9 37.7 1.0 CE1 E:HIS181 3.1 37.1 1.0 CG E:HIS181 3.2 36.9 1.0 CG E:ASP310 3.3 32.9 1.0 ZN E:ZN700 3.3 43.6 1.0 CE1 E:HIS179 3.3 37.6 1.0 CB E:HIS181 3.6 34.5 1.0 CB E:ASP310 3.6 32.7 1.0 NE2 E:HIS184 3.9 37.0 1.0 CG E:HIS179 4.1 37.2 1.0 CD2 E:HIS184 4.2 37.0 1.0 ND1 E:HIS179 4.3 38.6 1.0 NE2 E:HIS181 4.3 37.6 1.0 CG E:GLU291 4.3 31.1 1.0 OD1 E:ASP310 4.3 28.8 1.0 CD2 E:HIS181 4.3 37.8 1.0 OD1 E:ASP183 4.5 50.0 1.0 NE2 E:HIS317 4.6 32.9 1.0 O E:HOH2048 4.7 38.3 1.0 OD2 E:ASP183 4.7 54.9 1.0 CE1 E:HIS184 4.9 36.6 1.0 O1 E:SO4801 4.9 37.0 1.0 NE2 E:HIS355 4.9 42.6 1.0 O4 E:SO4801 4.9 34.6 1.0

T.Knaus, M.Schober, B.Kepplinger, M.Faccinelli, J.Pitzer, K.Faber, P.Macheroux, U.Wagner. Structure and Mechanism of An Inverting Alkylsulfatase From Pseudomonas Sp. DSM6611 Specific For Secondary Alkylsulfates. Febs J. V. 279 4374 2012.
ISSN: ISSN 1742-464X
PubMed: 23061549
DOI: 10.1111/FEBS.12027