Zinc in PDB 9jpl: Crystal Structure of Dhdr Inducer Binding Domain in Complex with Inducer

The structure of Crystal Structure of Dhdr Inducer Binding Domain in Complex with Inducer, PDB code: 9jpl was solved by P.Sun, B.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.72 / 2.01
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	128, 128, 42.95, 90, 90, 90
R / Rfree (%)	20 / 23

The structure of Crystal Structure of Dhdr Inducer Binding Domain in Complex with Inducer also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Dhdr Inducer Binding Domain in Complex with Inducer (pdb code 9jpl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Dhdr Inducer Binding Domain in Complex with Inducer, PDB code: 9jpl:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Dhdr Inducer Binding Domain in Complex with Inducer


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 Dhdr Inducer Binding Domain in Complex with Inducer within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn304 b:29.9 occ:1.00 O2 A:2HG303 2.0 25.9 1.0 NE2 A:HIS147 2.1 27.1 1.0 NE2 A:HIS195 2.1 26.6 1.0 O3 A:2HG303 2.2 26.4 1.0 NE2 A:HIS217 2.2 28.6 1.0 OD1 A:ASP143 2.4 26.8 1.0 C1 A:2HG303 2.9 25.9 1.0 CE1 A:HIS147 3.0 29.0 1.0 CE1 A:HIS217 3.0 28.7 1.0 C2 A:2HG303 3.0 27.8 1.0 CE1 A:HIS195 3.1 28.4 1.0 CD2 A:HIS195 3.1 26.1 1.0 CD2 A:HIS147 3.2 25.5 1.0 CG A:ASP143 3.3 27.0 1.0 CD2 A:HIS217 3.3 28.4 1.0 OD2 A:ASP143 3.4 27.7 1.0 O1 A:2HG303 4.0 30.8 1.0 ND1 A:HIS147 4.2 34.0 1.0 C3 A:2HG303 4.2 29.0 1.0 ND1 A:HIS195 4.2 31.1 1.0 ND1 A:HIS217 4.2 27.9 1.0 CG A:HIS147 4.3 29.3 1.0 CG A:HIS195 4.3 31.0 1.0 NH2 A:ARG99 4.3 26.0 1.0 CG A:HIS217 4.4 29.3 1.0 CB A:ASP143 4.7 26.6 1.0 O A:ASP143 4.8 24.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Dhdr Inducer Binding Domain in Complex with Inducer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Dhdr Inducer Binding Domain in Complex with Inducer within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:40.0 occ:1.00 NE2 B:HIS195 2.1 43.2 1.0 NE2 B:HIS147 2.2 34.8 1.0 NE2 B:HIS217 2.2 32.7 1.0 O1 B:2HG301 2.2 42.8 1.0 O3 B:2HG301 2.3 35.4 1.0 OD1 B:ASP143 2.4 40.4 1.0 CE1 B:HIS195 3.0 39.6 1.0 C1 B:2HG301 3.0 41.8 1.0 CE1 B:HIS217 3.0 36.1 1.0 CD2 B:HIS147 3.1 34.3 1.0 C2 B:2HG301 3.1 41.9 1.0 CD2 B:HIS195 3.1 38.1 1.0 CE1 B:HIS147 3.2 37.5 1.0 CG B:ASP143 3.3 42.9 1.0 CD2 B:HIS217 3.3 33.3 1.0 OD2 B:ASP143 3.4 44.0 1.0 ND1 B:HIS195 4.1 43.3 1.0 O2 B:2HG301 4.2 40.6 1.0 ND1 B:HIS217 4.2 33.1 1.0 CG B:HIS195 4.2 41.8 1.0 C3 B:2HG301 4.2 41.1 1.0 CG B:HIS147 4.3 35.6 1.0 ND1 B:HIS147 4.3 36.9 1.0 CG B:HIS217 4.4 32.1 1.0 NH2 B:ARG99 4.4 38.7 1.0 CB B:ASP143 4.7 41.4 1.0 O B:ASP143 4.8 38.7 1.0

P.Sun, B.Wang. Crystal Structure of Dhdr Inducer Binding Domain To Be Published.