Zinc in PDB 4p3o: Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2

All present enzymatic activity of Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2:
6.1.1.3;

The structure of Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2, PDB code: 4p3o was solved by P.Fang, X.Yu, K.Chen, X.Chen, M.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.72 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.449, 107.617, 109.209, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 22.4

The binding sites of Zinc atom in the Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2 (pdb code 4p3o). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2, PDB code: 4p3o:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:27.7 occ:1.00 O A:HOH899 1.9 18.4 1.0 NE2 A:HIS385 1.9 26.3 1.0 ND1 A:HIS511 2.1 29.1 1.0 SG A:CYS334 2.4 25.1 1.0 CE1 A:HIS511 2.7 29.3 1.0 CE1 A:HIS385 2.9 26.0 1.0 CB A:CYS334 2.9 22.9 1.0 CD2 A:HIS385 3.0 26.9 1.0 CG A:HIS511 3.3 29.3 1.0 O A:HOH860 3.6 39.3 1.0 CA A:CYS334 3.9 22.8 1.0 NE2 A:HIS511 3.9 29.8 1.0 CB A:HIS511 4.0 29.2 1.0 ND1 A:HIS385 4.0 26.1 1.0 CG A:HIS385 4.1 26.7 1.0 OD2 A:ASP383 4.1 30.3 1.0 N A:CYS334 4.1 22.7 1.0 CD2 A:HIS511 4.3 29.6 1.0 C9 A:2CR702 4.4 30.9 1.0 O A:HOH855 4.4 30.0 1.0 OD1 A:ASP383 4.4 30.8 1.0 C7 A:2CR702 4.5 29.9 1.0 CA A:HIS511 4.7 29.4 1.0 CG A:ASP383 4.7 30.4 1.0 C8 A:2CR702 4.8 30.6 1.0

Zinc binding site 2 out of 2 in the Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Basis For Full-Spectrum Inhibition of Threonyl-Trna Synthetase By Borrelidin 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn701 b:29.5 occ:1.00 O B:HOH879 2.0 26.9 1.0 NE2 B:HIS385 2.0 25.1 1.0 ND1 B:HIS511 2.0 28.8 1.0 SG B:CYS334 2.3 23.6 1.0 CE1 B:HIS511 2.6 28.8 1.0 CD2 B:HIS385 2.9 25.5 1.0 CB B:CYS334 2.9 21.9 1.0 CE1 B:HIS385 3.0 24.9 1.0 CG B:HIS511 3.3 28.8 1.0 O B:HOH867 3.8 37.5 1.0 NE2 B:HIS511 3.8 29.1 1.0 CA B:CYS334 3.9 22.6 1.0 CB B:HIS511 3.9 28.5 1.0 OD2 B:ASP383 4.0 30.2 1.0 ND1 B:HIS385 4.1 25.1 1.0 CG B:HIS385 4.1 25.7 1.0 N B:CYS334 4.1 22.4 1.0 CD2 B:HIS511 4.2 29.1 1.0 OD1 B:ASP383 4.3 30.2 1.0 O B:HOH838 4.3 30.4 1.0 C9 B:2CR702 4.4 31.8 1.0 CG B:ASP383 4.6 30.1 1.0 C7 B:2CR702 4.6 31.0 1.0 CA B:HIS511 4.7 28.1 1.0 N35 B:2CR702 4.8 31.6 1.0 C8 B:2CR702 4.9 31.7 1.0

P.Fang, X.Yu, S.Jeong, A.Mirando, K.Chen, X.Chen, S.Kim, C.S.Francklyn, M.Guo. Structural Basis For Full-Spectrum Inhibition of Translational and Nontranslational Functions on A Human Trna Synthetase To Be Published.