Zinc in PDB 1qe3: Pnb Esterase

The structure of Pnb Esterase, PDB code: 1qe3 was solved by B.Spiller, A.Gershenson, F.Arnold, R.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.241, 80.714, 99.575, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 24

The binding sites of Zinc atom in the Pnb Esterase (pdb code 1qe3). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Pnb Esterase, PDB code: 1qe3:

Zinc binding site 1 out of 1 in the Pnb Esterase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Pnb Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:17.2 occ:1.00 N A:HIS3 2.2 16.5 1.0 ND1 A:HIS3 2.3 16.9 1.0 N A:THR2 2.3 16.4 1.0 O A:HOH512 2.6 17.7 1.0 O A:HOH619 2.8 22.6 1.0 C A:THR2 3.0 16.4 1.0 CA A:THR2 3.1 16.3 1.0 CE1 A:HIS3 3.3 17.2 1.0 CG A:HIS3 3.3 16.9 1.0 CA A:HIS3 3.3 16.5 1.0 CB A:HIS3 3.5 16.7 1.0 N A:GLN4 4.0 16.7 1.0 O A:HOH605 4.0 21.2 1.0 C A:HIS3 4.1 16.6 1.0 O A:HOH671 4.1 27.9 1.0 O A:THR2 4.2 16.5 1.0 NE2 A:HIS3 4.4 17.3 1.0 CB A:THR2 4.4 16.4 1.0 CD2 A:HIS3 4.4 17.0 1.0 OG1 A:THR2 4.5 16.3 1.0

B.Spiller, A.Gershenson, F.H.Arnold, R.C.Stevens. A Structural View of Evolutionary Divergence. Proc.Natl.Acad.Sci.Usa V. 96 12305 1999.
ISSN: ISSN 0027-8424
PubMed: 10535917
DOI: 10.1073/PNAS.96.22.12305