Zinc in PDB 2cfu: Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Decane-Sulfonic- Acid.

The structure of Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Decane-Sulfonic- Acid., PDB code: 2cfu was solved by G.Hagelueken, T.M.Adams, L.Wiehlmann, U.Widow, H.Kolmar, B.Tuemmler, D.W.Heinz, W.-D.Schubert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.54 / 1.9
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.057, 86.057, 364.413, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 21.7

The binding sites of Zinc atom in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Decane-Sulfonic- Acid. (pdb code 2cfu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Decane-Sulfonic- Acid., PDB code: 2cfu:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Decane-Sulfonic- Acid.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Decane-Sulfonic- Acid. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:10.4 occ:1.00 NE2 A:HIS344 2.0 19.0 1.0 NE2 A:HIS174 2.0 20.0 1.0 O A:HOH3001 2.1 6.2 1.0 OE1 A:GLU299 2.1 20.4 1.0 OD2 A:ASP173 2.2 20.5 1.0 CD A:GLU299 2.9 19.6 1.0 OE2 A:GLU299 3.0 19.0 1.0 CE1 A:HIS174 3.0 19.8 1.0 CD2 A:HIS344 3.0 21.6 1.0 CE1 A:HIS344 3.0 18.1 1.0 CD2 A:HIS174 3.0 22.3 1.0 CG A:ASP173 3.1 21.6 1.0 OD1 A:ASP173 3.3 19.4 1.0 ZN A:ZN1002 3.3 13.2 1.0 O A:HOH2532 3.7 30.6 1.0 NE2 A:HIS169 4.1 16.7 1.0 ND1 A:HIS174 4.1 23.5 1.0 ND1 A:HIS344 4.1 21.1 1.0 CG A:HIS344 4.2 18.7 1.0 CG A:HIS174 4.2 23.0 1.0 CE1 A:HIS169 4.2 20.2 1.0 CG A:GLU299 4.3 18.9 1.0 OE2 A:GLU280 4.4 24.2 1.0 CB A:ASP173 4.4 21.6 1.0 CD1 A:ILE239 4.5 19.1 1.0 CB A:ALA123 4.6 18.3 1.0 CG2 A:VAL343 4.8 22.9 1.0 CB A:GLU299 4.9 17.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Decane-Sulfonic- Acid.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Decane-Sulfonic- Acid. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:13.2 occ:1.00 O A:HOH3001 1.9 6.2 1.0 OE2 A:GLU280 2.0 24.2 1.0 ND1 A:HIS171 2.1 21.1 1.0 NE2 A:HIS169 2.1 16.7 1.0 OE1 A:GLU299 2.8 20.4 1.0 CD A:GLU280 2.8 23.4 1.0 CD2 A:HIS169 2.9 17.4 1.0 OE1 A:GLU280 3.0 23.8 1.0 CE1 A:HIS171 3.0 23.3 1.0 CG A:HIS171 3.1 25.1 1.0 CE1 A:HIS169 3.2 20.2 1.0 CD A:GLU299 3.3 19.6 1.0 ZN A:ZN1001 3.3 10.4 1.0 CB A:HIS171 3.4 21.0 1.0 O A:HOH2530 3.5 8.0 0.4 OE2 A:GLU299 3.6 19.0 1.0 O A:HOH2532 3.7 30.6 1.0 NE2 A:HIS174 3.9 20.0 1.0 CD2 A:HIS174 4.0 22.3 1.0 CG A:HIS169 4.2 19.4 1.0 NE2 A:HIS171 4.2 25.1 1.0 CD2 A:HIS171 4.2 24.1 1.0 O1 A:1DB1655 4.2 40.1 0.6 CG A:GLU280 4.3 22.0 1.0 OD1 A:ASP173 4.3 19.4 1.0 ND1 A:HIS169 4.3 18.3 1.0 CG A:GLU299 4.3 18.9 1.0 CB A:GLU299 4.3 17.8 1.0 C2 A:1DB1655 4.7 33.2 0.6 C4 A:1DB1655 4.8 29.1 0.6 CA A:HIS171 4.9 19.2 1.0 OD2 A:ASP173 4.9 20.5 1.0 CE1 A:HIS174 5.0 19.8 1.0

G.Hagelueken, T.M.Adams, L.Wiehlmann, U.Widow, H.Kolmar, B.Tummler, D.W.Heinz, W.-D.Schubert. The Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, Defines A Third Class of Sulfatases. Proc.Natl.Acad.Sci.Usa V. 103 7631 2006.
ISSN: ISSN 0027-8424
PubMed: 16684886
DOI: 10.1073/PNAS.0510501103