Zinc in PDB 8h9a: Crystal Structure of Chemically Modified E. Coli Thrs Catalytic Domain 2

All present enzymatic activity of Crystal Structure of Chemically Modified E. Coli Thrs Catalytic Domain 2:
6.1.1.3;

The structure of Crystal Structure of Chemically Modified E. Coli Thrs Catalytic Domain 2, PDB code: 8h9a was solved by H.Qiao, M.Xia, J.Wang, P.Fang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.87 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.62, 91.62, 121.54, 90, 90, 120
R / Rfree (%)	18.1 / 23.3

The binding sites of Zinc atom in the Crystal Structure of Chemically Modified E. Coli Thrs Catalytic Domain 2 (pdb code 8h9a). 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 Chemically Modified E. Coli Thrs Catalytic Domain 2, PDB code: 8h9a:

Zinc binding site 1 out of 1 in the Crystal Structure of Chemically Modified E. Coli Thrs Catalytic Domain 2


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 Chemically Modified E. Coli Thrs Catalytic Domain 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:18.1 occ:1.00 NE2 A:HIS385 2.2 14.0 1.0 O7 A:X5V701 2.2 19.3 1.0 O1 A:X5V701 2.2 16.2 1.0 ND1 A:HIS511 2.3 19.0 1.0 SG A:CYS334 2.3 18.2 1.0 C16 A:X5V701 2.9 19.1 1.0 C6 A:X5V701 2.9 15.5 1.0 CE1 A:HIS385 3.1 13.8 1.0 CD2 A:HIS385 3.2 12.8 1.0 CG A:HIS511 3.2 19.1 1.0 CE1 A:HIS511 3.3 22.5 1.0 CB A:CYS334 3.4 17.1 1.0 CB A:HIS511 3.4 15.7 1.0 O A:HOH864 4.0 26.5 1.0 C4 A:X5V701 4.2 23.7 1.0 C1 A:X5V701 4.2 17.9 1.0 O A:HOH827 4.2 19.7 1.0 CA A:CYS334 4.2 17.8 1.0 ND1 A:HIS385 4.3 13.3 1.0 CG A:HIS385 4.3 12.4 1.0 CD2 A:HIS511 4.4 19.8 1.0 NE2 A:HIS511 4.4 24.9 1.0 N A:CYS334 4.4 16.7 1.0 CA A:HIS511 4.5 13.7 1.0 N1 A:X5V701 4.5 27.6 1.0 O2 A:X5V701 4.5 35.6 1.0 OD1 A:ASP383 4.6 20.2 1.0 OD2 A:ASP383 4.7 17.8 1.0 O A:HOH825 4.8 30.0 1.0 C5 A:X5V701 4.9 25.2 1.0

H.Qiao, M.Xia, Y.Cheng, J.Zhou, L.Zheng, W.Li, J.Wang, P.Fang. Tyrosine-Targeted Covalent Inhibition of A Trna Synthetase Aided By Zinc Ion. Commun Biol V. 6 107 2023.
ISSN: ESSN 2399-3642
PubMed: 36707692
DOI: 10.1038/S42003-023-04517-7