Zinc in PDB 2cg2: Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with Sulfate

The structure of Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with Sulfate, PDB code: 2cg2 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)	74.12 / 2.10
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.662, 85.662, 364.130, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 21.3

The binding sites of Zinc atom in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with Sulfate (pdb code 2cg2). 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 Sulfate, PDB code: 2cg2:
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 Sulfate


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 Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:20.6 occ:1.00 O A:HOH924 2.0 13.8 1.0 NE2 A:HIS344 2.1 18.3 1.0 OE1 A:GLU299 2.1 19.9 1.0 NE2 A:HIS174 2.1 15.9 1.0 OD2 A:ASP173 2.2 20.5 1.0 CD A:GLU299 2.8 20.7 1.0 OE2 A:GLU299 3.0 21.4 1.0 CG A:ASP173 3.0 19.3 1.0 CD2 A:HIS344 3.0 18.1 1.0 CD2 A:HIS174 3.0 15.2 1.0 CE1 A:HIS344 3.1 17.0 1.0 CE1 A:HIS174 3.1 19.5 1.0 O A:HOH823 3.2 28.3 1.0 OD1 A:ASP173 3.2 19.0 1.0 ZN A:ZN703 3.3 24.5 1.0 NE2 A:HIS169 4.1 19.7 1.0 ND1 A:HIS344 4.2 16.7 1.0 CE1 A:HIS169 4.2 19.2 1.0 ND1 A:HIS174 4.2 17.6 1.0 CG A:HIS344 4.2 18.8 1.0 CG A:HIS174 4.2 16.9 1.0 CG A:GLU299 4.2 20.6 1.0 CB A:ASP173 4.4 18.6 1.0 OE2 A:GLU280 4.4 25.5 1.0 CD1 A:ILE239 4.5 18.1 1.0 CB A:ALA123 4.6 16.4 1.0 CG2 A:VAL343 4.8 17.7 1.0 CB A:GLU299 4.8 20.1 1.0 ND1 A:HIS171 5.0 25.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with Sulfate


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 Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn703 b:24.5 occ:1.00 O A:HOH924 2.0 13.8 1.0 OE2 A:GLU280 2.0 25.5 1.0 ND1 A:HIS171 2.1 25.6 1.0 NE2 A:HIS169 2.1 19.7 1.0 CD A:GLU280 2.8 23.8 1.0 OE1 A:GLU299 2.8 19.9 1.0 OE1 A:GLU280 2.8 23.9 1.0 CD2 A:HIS169 3.0 19.6 1.0 CE1 A:HIS171 3.0 27.4 1.0 CG A:HIS171 3.1 23.8 1.0 CE1 A:HIS169 3.2 19.2 1.0 CD A:GLU299 3.3 20.7 1.0 O A:HOH823 3.3 28.3 1.0 ZN A:ZN702 3.3 20.6 1.0 CB A:HIS171 3.4 19.1 1.0 OE2 A:GLU299 3.5 21.4 1.0 NE2 A:HIS174 4.0 15.9 1.0 CD2 A:HIS174 4.0 15.2 1.0 NE2 A:HIS171 4.1 27.1 1.0 CG A:HIS169 4.2 20.8 1.0 CD2 A:HIS171 4.2 27.7 1.0 ND1 A:HIS169 4.2 20.6 1.0 CG A:GLU280 4.3 22.6 1.0 OD1 A:ASP173 4.3 19.0 1.0 CG A:GLU299 4.3 20.6 1.0 CB A:GLU299 4.3 20.1 1.0 CA A:HIS171 4.9 19.7 1.0 OD2 A:ASP173 4.9 20.5 1.0

G.Hagelueken, T.M.Adams, L.Wiehlmann, U.Widow, H.Kolmar, B.Tummler, D.W.Heinz, W.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