Zinc in PDB 4nur: Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9

The structure of Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9, PDB code: 4nur was solved by L.F.Sun, Y.T.Su, Y.H.Zhao, Z.X.Cai, Y.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.75 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.780, 76.656, 103.178, 90.00, 95.03, 90.00
R / Rfree (%)	15.2 / 18.4

The structure of Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 (pdb code 4nur). 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 Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9, PDB code: 4nur:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9


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 Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:13.0 occ:1.00 NE2 A:HIS197 2.1 9.8 1.0 OD2 A:ASP196 2.2 8.9 1.0 OE1 A:GLU322 2.2 9.2 1.0 NE2 A:HIS367 2.2 10.8 1.0 O A:HOH1444 2.2 11.8 1.0 O A:HOH809 2.3 13.9 1.0 CD A:GLU322 3.0 10.2 1.0 CG A:ASP196 3.0 8.8 1.0 CE1 A:HIS197 3.0 13.5 1.0 CE1 A:HIS367 3.1 10.7 1.0 CD2 A:HIS197 3.1 9.8 1.0 OE2 A:GLU322 3.2 15.6 1.0 CD2 A:HIS367 3.2 9.5 1.0 O A:HOH1446 3.3 26.5 1.0 OD1 A:ASP196 3.3 13.2 1.0 NE2 A:HIS192 3.9 13.1 1.0 ND1 A:HIS197 4.2 10.1 1.0 CG A:HIS197 4.2 10.7 1.0 ND1 A:HIS367 4.2 10.8 1.0 CG A:HIS367 4.3 8.5 1.0 CB A:ASP196 4.3 9.6 1.0 CG A:GLU322 4.4 12.5 1.0 CE1 A:HIS192 4.4 16.0 1.0 CD2 A:LEU262 4.5 17.9 1.0 CB A:SER146 4.7 10.9 1.0 OE2 A:GLU303 4.8 21.4 1.0 CB A:GLU322 4.9 12.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9


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 Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn701 b:17.6 occ:1.00 NE2 B:HIS367 2.2 13.3 1.0 OD2 B:ASP196 2.2 12.2 1.0 OE1 B:GLU322 2.2 13.1 1.0 NE2 B:HIS197 2.2 13.2 1.0 O B:HOH806 2.2 12.7 1.0 CD B:GLU322 3.0 20.7 1.0 CG B:ASP196 3.0 19.5 1.0 CE1 B:HIS367 3.1 13.0 1.0 OE2 B:GLU322 3.1 18.1 1.0 CD2 B:HIS197 3.2 18.2 1.0 CD2 B:HIS367 3.2 13.6 1.0 CE1 B:HIS197 3.2 16.3 1.0 OD1 B:ASP196 3.3 16.8 1.0 O B:HOH941 3.3 36.4 1.0 NE2 B:HIS192 4.0 18.9 1.0 ND1 B:HIS367 4.2 14.2 1.0 CG B:HIS367 4.3 12.0 1.0 ND1 B:HIS197 4.3 18.1 1.0 CG B:HIS197 4.3 16.4 1.0 CG B:GLU322 4.3 17.4 1.0 CB B:ASP196 4.4 15.1 1.0 CE1 B:HIS192 4.5 18.9 1.0 CD2 B:LEU262 4.6 28.5 1.0 CB B:SER146 4.7 19.3 1.0 CB B:GLU322 4.9 17.3 1.0 OE2 B:GLU303 5.0 28.6 1.0

Y.K.Wu, L.F.Sun. Crystal Structure of Thermostable Alkylsulfatase Sdsap From Pseudomonas Sp. S9 To Be Published.