Zinc in PDB 4ao7: Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library

The structure of Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library, PDB code: 4ao7 was solved by J.Fu, H.-K.S.Leiros, D.D.Pascale, K.A.Johnson, H.M.Blencke, B.Landfald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.660, 70.030, 53.950, 90.00, 90.00, 90.00
R / Rfree (%)	17.606 / 22.752

The binding sites of Zinc atom in the Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library (pdb code 4ao7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library, PDB code: 4ao7:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1248 b:26.3 occ:0.45 O A:HOH2109 2.0 18.3 1.0 ND1 A:HIS220 2.0 13.4 1.0 OE2 A:GLU233 2.0 15.4 1.0 OE1 A:GLU233 2.2 13.7 1.0 O A:HOH2081 2.2 32.3 1.0 CD A:GLU233 2.4 13.7 1.0 CE1 A:HIS220 2.7 12.3 1.0 CG A:HIS220 3.1 11.8 1.0 CB A:HIS220 3.7 11.5 1.0 NE2 A:HIS220 3.9 12.6 1.0 CG A:GLU233 3.9 14.2 1.0 CD2 A:HIS220 4.1 12.7 1.0 CZ3 A:TRP232 4.1 20.1 1.0 NH1 A:ARG190 4.3 18.6 1.0 O A:HOH2084 4.4 26.4 0.5 O A:HOH2083 4.4 19.5 1.0 CB A:GLU233 4.6 14.5 1.0 CH2 A:TRP232 4.7 18.6 1.0 CZ A:ARG190 4.9 18.7 1.0 CE3 A:TRP232 5.0 19.0 1.0 CA A:GLU233 5.0 14.7 1.0

Zinc binding site 2 out of 3 in the Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1249 b:34.0 occ:0.40 O A:HOH2019 2.0 37.8 1.0 NE2 A:HIS51 2.1 34.7 1.0 O A:HOH2018 2.3 48.7 1.0 CD2 A:HIS51 2.9 32.9 1.0 O A:HOH2022 3.0 47.4 1.0 CE1 A:HIS51 3.3 30.9 0.5 OD1 A:ASP80 3.9 38.2 1.0 CG A:HIS51 4.1 29.2 1.0 ND1 A:HIS51 4.3 28.1 0.5 CG A:ASP80 4.9 35.3 1.0 O A:HOH2034 4.9 41.8 1.0

Zinc binding site 3 out of 3 in the Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Zinc Bound Structure of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1250 b:33.8 occ:0.40 O A:HOH2097 1.8 26.5 1.0 OE2 A:GLU198 1.9 25.4 1.0 O A:HOH2095 2.8 32.9 1.0 O A:HOH2096 2.8 46.0 1.0 CD A:GLU198 3.0 25.8 1.0 OE1 A:GLU198 3.5 22.4 1.0 CB A:HIS226 4.0 20.6 1.0 N A:SER227 4.1 21.3 0.5 N A:SER227 4.1 21.0 0.5 OG A:SER227 4.2 25.8 0.5 N A:HIS226 4.2 20.2 1.0 OG A:SER227 4.2 21.1 0.5 CG A:GLU198 4.2 24.4 1.0 CB A:LYS225 4.3 23.1 1.0 CB A:SER227 4.4 23.2 0.5 CE A:LYS225 4.4 32.1 0.8 CB A:SER227 4.5 22.6 0.5 CA A:HIS226 4.5 19.9 1.0 C A:HIS226 4.8 20.4 1.0 CA A:SER227 4.9 22.2 0.5 CA A:SER227 5.0 21.7 0.5

J.Fu, H.-K.S.Leiros, D.De Pascale, K.A.Johnson, H.M.Blencke, B.Landfald. Functional and Structural Studies of A Novel Cold-Adapted Esterase From An Arctic Intertidal Metagenomic Library. Appl.Microbiol.Biotechnol. V. 97 3965 2013.
ISSN: ISSN 0175-7598
PubMed: 22832985
DOI: 10.1007/S00253-012-4276-9