Zinc in PDB 7d1d: Crystal Structure of Bacteroides Thetaiotaomicron Glutaminyl Cyclase Bound to 1-Benzylimidazole

The structure of Crystal Structure of Bacteroides Thetaiotaomicron Glutaminyl Cyclase Bound to 1-Benzylimidazole, PDB code: 7d1d was solved by K.-F.Huang, J.-S.Huang, M.-L.Wu, W.-L.Hsieh, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.79 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.302, 78.536, 49.221, 90, 114.51, 90
R / Rfree (%)	13.3 / 18

The binding sites of Zinc atom in the Crystal Structure of Bacteroides Thetaiotaomicron Glutaminyl Cyclase Bound to 1-Benzylimidazole (pdb code 7d1d). 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 Crystal Structure of Bacteroides Thetaiotaomicron Glutaminyl Cyclase Bound to 1-Benzylimidazole, PDB code: 7d1d:

Zinc binding site 1 out of 1 in the Crystal Structure of Bacteroides Thetaiotaomicron Glutaminyl Cyclase Bound to 1-Benzylimidazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Bacteroides Thetaiotaomicron Glutaminyl Cyclase Bound to 1-Benzylimidazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:15.2 occ:1.00 OD2 A:ASP149 2.0 13.5 1.0 OD2 A:ASP182 2.0 16.6 1.0 N2 A:1BN401 2.0 20.7 1.0 NE2 A:HIS302 2.1 15.1 1.0 OD1 A:ASP182 2.6 16.6 1.0 CG A:ASP182 2.6 16.6 1.0 CG A:ASP149 2.8 15.3 1.0 OD1 A:ASP149 2.9 15.0 1.0 C2 A:1BN401 2.9 21.0 1.0 CD2 A:HIS302 3.0 13.8 1.0 C3 A:1BN401 3.1 25.2 1.0 CE1 A:HIS302 3.1 15.5 1.0 NE1 A:TRP301 3.8 17.6 1.0 O A:HOH536 4.0 19.6 1.0 C1 A:1BN401 4.1 23.2 1.0 CB A:ASP182 4.1 15.1 1.0 N1 A:1BN401 4.1 28.1 1.0 CB A:ASP149 4.2 14.5 1.0 CG A:HIS302 4.2 13.4 1.0 ND1 A:HIS302 4.2 14.8 1.0 OE1 A:GLU181 4.2 27.1 1.0 CD1 A:TRP301 4.3 17.2 1.0 CD A:ARG128 4.6 16.7 1.0 O A:HOH591 4.6 15.6 1.0 CE2 A:TRP301 4.7 18.1 1.0 CB A:ARG128 4.8 15.6 1.0 NE2 A:HIS124 4.8 14.4 1.0 OE2 A:GLU181 4.9 36.2 1.0

K.F.Huang, J.S.Huang, M.L.Wu, W.L.Hsieh, K.C.Hsu, H.L.Hsu, T.P.Ko, A.H-J Wang. A Unique Carboxylic-Acid Hydrogen-Bond Network (Cahbn) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol. 66960 2021.
ISSN: ESSN 1089-8638
PubMed: 33774034
DOI: 10.1016/J.JMB.2021.166960