Zinc in PDB 5ah1: Structure of Esta From Clostridium Botulinum

All present enzymatic activity of Structure of Esta From Clostridium Botulinum:
3.1.1.3;

The structure of Structure of Esta From Clostridium Botulinum, PDB code: 5ah1 was solved by A.Pairitsch, A.Lyskowski, A.Hromic, G.Steinkellner, K.Gruber, V.Perz, A.Baumschlager, K.Bleymaier, S.Zitzenbacher, C.Sinkel, U.Kueper, D.Ribitsch, G.M.Guebitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.95 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.240, 64.710, 69.790, 90.00, 106.93, 90.00
R / Rfree (%)	12.9 / 14.9

The structure of Structure of Esta From Clostridium Botulinum also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Zinc atom in the Structure of Esta From Clostridium Botulinum (pdb code 5ah1). 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 Structure of Esta From Clostridium Botulinum, PDB code: 5ah1:

Zinc binding site 1 out of 1 in the Structure of Esta From Clostridium Botulinum


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Esta From Clostridium Botulinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1455 b:8.9 occ:1.00 OD1 A:ASP130 1.9 7.8 1.0 OD2 A:ASP302 2.0 7.8 1.0 NE2 A:HIS156 2.1 7.4 1.0 NE2 A:HIS150 2.1 7.6 1.0 CG A:ASP130 2.7 6.8 1.0 OD2 A:ASP130 2.7 8.3 1.0 CG A:ASP302 2.8 6.7 1.0 OD1 A:ASP302 2.9 6.7 1.0 CD2 A:HIS156 3.0 7.2 1.0 CD2 A:HIS150 3.0 6.5 1.0 CE1 A:HIS156 3.1 6.9 1.0 CE1 A:HIS150 3.1 6.9 1.0 HD2 A:HIS156 3.1 8.6 1.0 HD2 A:HIS150 3.2 7.8 1.0 HE1 A:HIS150 3.3 8.3 1.0 HE1 A:HIS156 3.3 8.2 1.0 HG A:SER127 3.5 7.9 1.0 HD1 A:TRP129 3.7 7.7 1.0 OG A:SER127 4.1 6.6 1.0 CB A:ASP130 4.2 6.8 1.0 HB2 A:PHE154 4.2 11.9 1.0 CG A:HIS156 4.2 8.1 1.0 ND1 A:HIS156 4.2 8.1 1.0 ND1 A:HIS150 4.2 7.4 1.0 CB A:ASP302 4.2 7.0 1.0 CG A:HIS150 4.2 6.5 1.0 HZ2 A:TRP274 4.3 10.8 1.0 HD2 A:PHE154 4.3 12.8 1.0 HB3 A:TYR146 4.3 8.7 1.0 HB3 A:ASP302 4.4 8.4 1.0 CD1 A:TRP129 4.4 6.4 1.0 HE21 A:GLN273 4.4 14.6 1.0 HG3 A:GLN273 4.5 13.9 1.0 H A:ASP130 4.5 7.7 1.0 HB2 A:ASP302 4.5 8.4 1.0 O A:HOH2228 4.5 8.7 1.0 HA A:ASP130 4.6 7.9 1.0 HB2 A:ASP130 4.6 8.1 1.0 HB3 A:TRP129 4.6 8.9 1.0 HB3 A:PHE154 4.6 11.9 1.0 HB3 A:ASP130 4.7 8.1 1.0 CD2 A:PHE154 4.7 10.7 1.0 HD1 A:TYR146 4.7 9.8 1.0 CB A:PHE154 4.8 9.9 1.0 CA A:ASP130 4.8 6.6 1.0 CZ2 A:TRP274 4.8 9.0 1.0 N A:ASP130 4.8 6.4 1.0 O A:ASP302 4.9 8.1 1.0 CD1 A:TYR146 4.9 8.2 1.0 HD1 A:HIS156 5.0 9.7 1.0 HD1 A:HIS150 5.0 8.8 1.0

V.Perz, A.Baumschlager, K.Bleymaier, S.Zitzenbacher, A.Hromic, G.Steinkellner, A.Pairitsch, A.Lyskowski, K.Gruber, C.Sinkel, U.Kueper, D.Ribitsch, G.M.Guebitz. Hydrolysis of Synthetic Polyesters By Clostridium Botulinum Esterases. Biotechnol.Bioeng. V. 113 1024 2016.
ISSN: ISSN 0006-3592
PubMed: 26524601
DOI: 10.1002/BIT.25874