Zinc in PDB 4phl: TBRPDEB1-Inhibitor Complex

The structure of TBRPDEB1-Inhibitor Complex, PDB code: 4phl was solved by M.S.Choy, N.Bland, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.96 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.195, 119.265, 68.144, 90.00, 106.97, 90.00
R / Rfree (%)	16 / 19.2

The structure of TBRPDEB1-Inhibitor Complex also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Zinc atom in the TBRPDEB1-Inhibitor Complex (pdb code 4phl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the TBRPDEB1-Inhibitor Complex, PDB code: 4phl:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the TBRPDEB1-Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of TBRPDEB1-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:28.3 occ:1.00 NE2 A:HIS673 2.0 17.3 1.0 O A:HOH1259 2.1 29.4 1.0 OD1 A:ASP822 2.1 17.5 1.0 NE2 A:HIS709 2.1 19.1 1.0 OD2 A:ASP710 2.2 24.1 1.0 O A:HOH1143 2.5 32.5 1.0 CD2 A:HIS673 3.0 20.8 1.0 CE1 A:HIS673 3.0 17.1 1.0 CG A:ASP822 3.1 22.2 1.0 CD2 A:HIS709 3.1 18.4 1.0 CE1 A:HIS709 3.1 19.3 1.0 CG A:ASP710 3.1 21.5 1.0 OD2 A:ASP822 3.4 24.6 1.0 OD1 A:ASP710 3.6 22.5 1.0 MG A:MG1002 4.0 28.6 1.0 CD2 A:HIS669 4.1 20.9 1.0 O A:HOH1189 4.1 29.9 1.0 ND1 A:HIS673 4.1 17.5 1.0 CG A:HIS673 4.1 18.3 1.0 ND1 A:HIS709 4.2 19.4 1.0 CG A:HIS709 4.2 19.3 1.0 CB A:ASP710 4.4 21.6 1.0 NE2 A:HIS669 4.4 22.0 1.0 CB A:ASP822 4.4 18.9 1.0 CG2 A:VAL677 4.7 13.8 1.0 O A:HOH1250 4.8 38.1 1.0 CA A:ASP822 4.8 22.6 1.0 O A:HOH1194 4.9 27.3 1.0

Zinc binding site 2 out of 2 in the TBRPDEB1-Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of TBRPDEB1-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:28.4 occ:1.00 O B:HOH1289 2.0 25.7 1.0 NE2 B:HIS673 2.1 18.3 1.0 OD1 B:ASP822 2.1 20.1 1.0 NE2 B:HIS709 2.1 19.7 1.0 OD2 B:ASP710 2.2 20.6 1.0 O B:HOH1208 2.5 35.5 1.0 CG B:ASP822 3.0 22.6 1.0 CD2 B:HIS673 3.0 19.8 1.0 CD2 B:HIS709 3.0 17.2 1.0 CE1 B:HIS673 3.1 18.1 1.0 CE1 B:HIS709 3.1 18.9 1.0 CG B:ASP710 3.2 21.0 1.0 OD2 B:ASP822 3.2 25.4 1.0 OD1 B:ASP710 3.6 23.5 1.0 MG B:MG1002 4.0 50.6 1.0 CD2 B:HIS669 4.1 22.4 1.0 CG B:HIS673 4.2 20.8 1.0 CG B:HIS709 4.2 17.6 1.0 ND1 B:HIS673 4.2 19.0 1.0 ND1 B:HIS709 4.2 17.3 1.0 O B:HOH1253 4.4 39.3 1.0 CB B:ASP822 4.4 20.1 1.0 NE2 B:HIS669 4.4 22.2 1.0 CB B:ASP710 4.5 18.9 1.0 CG2 B:VAL677 4.6 14.5 1.0 O B:HOH1273 4.8 42.3 1.0 CA B:ASP822 4.8 19.8 1.0 O B:HOH1334 5.0 33.1 1.0

N.Bland, M.S.Choy, M.Pollastri, R.Campbell, W.Peti, R.Page. TBRPDEB1-Inhibitor Complex To Be Published.