Zinc in PDB 5ajl: Sdsa Sulfatase Tetragonal

The structure of Sdsa Sulfatase Tetragonal, PDB code: 5ajl was solved by E.De La Mora, E.Flores-Hernandez, J.Jakoncic, V.Stojanoff, N.Sanchez-Puig, A.Moreno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.61 / 3.45
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	88.580, 88.580, 193.930, 90.00, 90.00, 90.00
R / Rfree (%)	24.411 / 28.901

The binding sites of Zinc atom in the Sdsa Sulfatase Tetragonal (pdb code 5ajl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Sdsa Sulfatase Tetragonal, PDB code: 5ajl:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Sdsa Sulfatase Tetragonal


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Sdsa Sulfatase Tetragonal within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:90.2 occ:0.86 CE1 A:HIS344 1.5 98.0 1.0 OE2 A:GLU299 1.7 91.5 1.0 OD2 A:ASP173 2.0 97.4 1.0 NE2 A:HIS344 2.2 95.2 1.0 ND1 A:HIS344 2.7 99.2 1.0 ZN A:ZN1002 2.8 0.6 0.9 CG A:ASP173 2.8 98.2 1.0 NE2 A:HIS174 2.8 97.2 1.0 CD A:GLU299 2.9 91.0 1.0 OD1 A:ASP173 3.0 96.0 1.0 OE1 A:GLU280 3.3 91.0 1.0 CD2 A:HIS344 3.5 95.7 1.0 CE1 A:HIS174 3.6 99.0 1.0 OE1 A:GLU299 3.6 90.3 1.0 CG A:HIS344 3.7 97.8 1.0 CD2 A:HIS174 3.7 97.4 1.0 CD1 A:ILE239 3.7 99.4 1.0 CG A:GLU299 4.0 90.4 1.0 CB A:ASP173 4.2 0.9 1.0 CD A:GLU280 4.2 91.8 1.0 OE2 A:GLU280 4.3 92.5 1.0 CD2 A:LEU122 4.6 0.1 1.0 ND1 A:HIS174 4.7 0.1 1.0 NE2 A:HIS169 4.8 89.6 1.0 CG A:HIS174 4.8 98.9 1.0 CG1 A:ILE239 5.0 0.5 1.0

Zinc binding site 2 out of 4 in the Sdsa Sulfatase Tetragonal


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Sdsa Sulfatase Tetragonal within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:0.6 occ:0.85 OE1 A:GLU299 1.4 90.3 1.0 OE2 A:GLU280 1.6 92.5 1.0 OE1 A:GLU280 1.8 91.0 1.0 CD A:GLU280 1.9 91.8 1.0 CD A:GLU299 2.0 91.0 1.0 OE2 A:GLU299 2.1 91.5 1.0 ND1 A:HIS171 2.5 96.4 1.0 ZN A:ZN1001 2.8 90.2 0.9 NE2 A:HIS169 2.9 89.6 1.0 CG A:HIS171 3.1 96.8 1.0 CG A:GLU280 3.3 91.5 1.0 NE2 A:HIS174 3.4 97.2 1.0 CB A:HIS171 3.4 96.7 1.0 CE1 A:HIS171 3.4 95.9 1.0 CG A:GLU299 3.5 90.4 1.0 OD1 A:ASP173 3.6 96.0 1.0 CD2 A:HIS174 3.7 97.4 1.0 CD2 A:HIS169 3.7 88.7 1.0 CE1 A:HIS344 3.8 98.0 1.0 CE1 A:HIS169 4.0 90.9 1.0 OD2 A:ASP173 4.1 97.4 1.0 CD2 A:HIS171 4.1 97.5 1.0 NE2 A:HIS171 4.2 96.8 1.0 CG A:ASP173 4.3 98.2 1.0 NE2 A:HIS344 4.3 95.2 1.0 CB A:GLU299 4.4 89.2 1.0 CB A:GLU280 4.5 90.5 1.0 CE1 A:HIS174 4.6 99.0 1.0 CA A:HIS171 4.9 96.2 1.0 ND1 A:HIS344 4.9 99.2 1.0 CG A:HIS169 5.0 89.2 1.0

Zinc binding site 3 out of 4 in the Sdsa Sulfatase Tetragonal


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Sdsa Sulfatase Tetragonal within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:96.3 occ:0.81 NE2 B:HIS344 1.7 0.6 1.0 OE2 B:GLU299 1.8 0.4 1.0 OD2 B:ASP173 2.0 0.3 1.0 CD2 B:HIS344 2.7 0.7 1.0 CE1 B:HIS344 2.8 0.5 1.0 CG B:ASP173 2.8 0.3 1.0 NE2 B:HIS174 2.9 0.9 1.0 CD B:GLU299 2.9 0.4 1.0 ZN B:ZN1002 3.0 0.4 0.9 OD1 B:ASP173 3.1 0.4 1.0 OE2 B:GLU280 3.4 94.5 1.0 OE1 B:GLU299 3.6 0.1 1.0 CD1 B:ILE239 3.6 0.1 1.0 CE1 B:HIS174 3.6 0.5 1.0 CD2 B:HIS174 3.8 0.0 1.0 ND1 B:HIS344 3.9 0.8 1.0 CG B:HIS344 3.9 0.1 1.0 CG B:GLU299 4.0 1.0 1.0 CB B:ASP173 4.1 0.6 1.0 CD2 B:LEU122 4.4 0.8 1.0 CD B:GLU280 4.4 93.6 1.0 ND1 B:HIS174 4.7 0.4 1.0 OE1 B:GLU280 4.7 92.3 1.0 CG1 B:ILE239 4.8 0.4 1.0 CG B:HIS174 4.8 0.6 1.0 NE2 B:HIS169 5.0 93.3 1.0

Zinc binding site 4 out of 4 in the Sdsa Sulfatase Tetragonal


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Sdsa Sulfatase Tetragonal within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1002 b:0.4 occ:0.86 OE1 B:GLU299 1.6 0.1 1.0 OE2 B:GLU280 1.7 94.5 1.0 OE1 B:GLU280 1.8 92.3 1.0 CD B:GLU280 1.9 93.6 1.0 CD B:GLU299 2.2 0.4 1.0 OE2 B:GLU299 2.3 0.4 1.0 ND1 B:HIS171 2.6 99.1 1.0 ZN B:ZN1001 3.0 96.3 0.8 NE2 B:HIS169 3.1 93.3 1.0 CG B:HIS171 3.2 99.5 1.0 CG B:GLU280 3.3 93.3 1.0 CB B:HIS171 3.4 99.9 1.0 CE1 B:HIS171 3.4 98.6 1.0 NE2 B:HIS174 3.5 0.9 1.0 OD1 B:ASP173 3.6 0.4 1.0 CG B:GLU299 3.7 1.0 1.0 CD2 B:HIS174 3.8 0.0 1.0 CD2 B:HIS169 3.9 91.5 1.0 OD2 B:ASP173 4.1 0.3 1.0 CE1 B:HIS169 4.1 94.6 1.0 CD2 B:HIS171 4.1 99.6 1.0 NE2 B:HIS344 4.2 0.6 1.0 NE2 B:HIS171 4.3 98.6 1.0 CG B:ASP173 4.3 0.3 1.0 CB B:GLU299 4.5 0.3 1.0 CB B:GLU280 4.6 92.2 1.0 CE1 B:HIS174 4.7 0.5 1.0 CA B:HIS171 4.9 98.7 1.0 CE1 B:HIS344 5.0 0.5 1.0

E.De La Mora, E.Flores-Hernandez, J.Jakoncic, V.Stojanoff, D.Siliqi, N.Sanchez-Puig, A.Moreno. Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques J.Appl.Crystallogr. V. 48 1551 2015.
ISSN: ISSN 0021-8898
DOI: 10.1107/S1600576715016556