Zinc in PDB 5aij: P. Aeruginosa Sdsa Hexagonal Polymorph

The structure of P. Aeruginosa Sdsa Hexagonal Polymorph, PDB code: 5aij 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)	74.80 / 1.95
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.370, 86.370, 368.180, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 21.7

The binding sites of Zinc atom in the P. Aeruginosa Sdsa Hexagonal Polymorph (pdb code 5aij). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the P. Aeruginosa Sdsa Hexagonal Polymorph, PDB code: 5aij:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the P. Aeruginosa Sdsa Hexagonal Polymorph


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of P. Aeruginosa Sdsa Hexagonal Polymorph within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:16.3 occ:0.84 OE1 A:GLU299 2.1 16.0 1.0 O A:HOH2192 2.1 18.1 1.0 NE2 A:HIS174 2.2 15.9 1.0 OD2 A:ASP173 2.2 13.4 1.0 NE2 A:HIS344 2.2 11.7 1.0 O A:HOH2197 2.3 30.0 1.0 CD A:GLU299 2.9 16.4 1.0 CG A:ASP173 3.0 14.1 1.0 OE2 A:GLU299 3.1 15.7 1.0 CE1 A:HIS174 3.1 16.8 1.0 CE1 A:HIS344 3.2 11.5 1.0 CD2 A:HIS174 3.2 15.2 1.0 OD1 A:ASP173 3.2 13.2 1.0 ZN A:ZN1002 3.2 11.9 0.4 CD2 A:HIS344 3.2 12.8 1.0 NE2 A:HIS169 4.0 25.5 1.0 CE1 A:HIS169 4.1 26.7 1.0 ND1 A:HIS174 4.2 17.4 1.0 ND1 A:HIS344 4.3 11.2 1.0 CG A:HIS174 4.3 15.8 1.0 CG A:GLU299 4.3 17.1 1.0 CG A:HIS344 4.4 11.4 1.0 CB A:ASP173 4.4 14.4 1.0 CD1 A:ILE239 4.5 13.4 1.0 OE2 A:GLU280 4.6 34.7 1.0 CB A:ALA123 4.8 11.0 1.0 CG2 A:VAL343 4.9 13.2 1.0 O A:HOH2376 4.9 23.4 1.0 CB A:GLU299 4.9 18.5 1.0

Zinc binding site 2 out of 2 in the P. Aeruginosa Sdsa Hexagonal Polymorph


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of P. Aeruginosa Sdsa Hexagonal Polymorph within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:11.9 occ:0.42 O A:HOH2192 1.9 18.1 1.0 OE2 A:GLU280 2.0 34.7 1.0 NE2 A:HIS169 2.1 25.5 1.0 ND1 A:HIS171 2.4 32.8 1.0 OE1 A:GLU299 2.5 16.0 1.0 CD A:GLU280 2.9 34.8 1.0 CD2 A:HIS169 2.9 22.7 1.0 OE1 A:GLU280 3.0 31.0 1.0 CD A:GLU299 3.1 16.4 1.0 CE1 A:HIS169 3.2 26.7 1.0 ZN A:ZN1001 3.2 16.3 0.8 CE1 A:HIS171 3.3 32.2 1.0 CG A:HIS171 3.4 26.7 1.0 O A:HOH2197 3.5 30.0 1.0 CB A:HIS171 3.6 19.9 1.0 OE2 A:GLU299 3.6 15.7 1.0 NE2 A:HIS174 3.8 15.9 1.0 O A:HOH2305 3.9 24.7 1.0 CD2 A:HIS174 4.0 15.2 1.0 CG A:HIS169 4.1 21.6 1.0 CG A:GLU299 4.1 17.1 1.0 ND1 A:HIS169 4.2 24.8 1.0 OD1 A:ASP173 4.2 13.2 1.0 CB A:GLU299 4.2 18.5 1.0 CG A:GLU280 4.3 32.8 1.0 NE2 A:HIS171 4.4 31.5 1.0 CD2 A:HIS171 4.5 29.4 1.0 OD2 A:ASP173 4.8 13.4 1.0 O A:HOH2376 4.9 23.4 1.0 CE1 A:HIS174 4.9 16.8 1.0 CG A:ASP173 5.0 14.1 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