Zinc in PDB 6hrg: Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I

The structure of Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I, PDB code: 6hrg was solved by S.H.Smits, W.R.Streit, K.E.Jaeger, A.Hoeppner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.59 / 2.12
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	67.420, 67.420, 253.770, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 24.9

The structure of Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Zinc atom in the Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I (pdb code 6hrg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I, PDB code: 6hrg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:30.7 occ:1.00 O A:HOH405 1.9 29.4 1.0 CE1 A:HIS59 2.0 24.2 1.0 OD2 A:ASP144 2.1 28.2 1.0 NE2 A:HIS194 2.2 28.9 1.0 OD2 A:ASP58 2.2 29.8 1.0 ND1 A:HIS59 2.9 25.5 1.0 CG A:ASP144 2.9 28.6 1.0 CD2 A:HIS194 3.0 29.0 1.0 NE2 A:HIS59 3.1 26.0 1.0 CG A:ASP58 3.1 31.5 1.0 CE1 A:HIS194 3.2 29.7 1.0 OD1 A:ASP144 3.2 26.4 1.0 ZN A:ZN302 3.3 29.3 1.0 OD1 A:ASP58 3.4 31.8 1.0 O A:HOH476 3.7 28.4 1.0 NE2 A:HIS11 3.9 26.5 1.0 CG A:HIS59 4.1 24.6 1.0 CG A:HIS194 4.2 27.9 1.0 CD2 A:HIS59 4.2 23.8 1.0 ND1 A:HIS194 4.2 28.4 1.0 NE2 A:HIS54 4.3 26.4 1.0 O A:HOH483 4.3 47.1 1.0 CB A:ASP144 4.3 29.3 1.0 CB A:ASP58 4.5 31.5 1.0 CE1 A:HIS54 4.5 26.5 1.0 CE1 A:HIS11 4.5 28.7 1.0 NE2 A:HIS118 4.8 28.0 1.0 CD2 A:HIS11 4.8 28.5 1.0

Zinc binding site 2 out of 2 in the Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:29.3 occ:1.00 O A:HOH405 2.0 29.4 1.0 ND1 A:HIS56 2.1 27.3 1.0 NE2 A:HIS118 2.2 28.0 1.0 NE2 A:HIS54 2.2 26.4 1.0 OD2 A:ASP144 2.5 28.2 1.0 CD2 A:HIS118 3.0 30.7 1.0 CE1 A:HIS56 3.0 28.6 1.0 CD2 A:HIS54 3.1 26.1 1.0 CG A:HIS56 3.2 27.4 1.0 CE1 A:HIS54 3.3 26.5 1.0 CE1 A:HIS118 3.3 27.9 1.0 ZN A:ZN301 3.3 30.7 1.0 O A:HOH476 3.4 28.4 1.0 CG A:ASP144 3.5 28.6 1.0 CB A:HIS56 3.6 25.9 1.0 CB A:ASP144 3.8 29.3 1.0 CE1 A:HIS59 3.9 24.2 1.0 ND1 A:HIS59 3.9 25.5 1.0 NE2 A:HIS56 4.2 26.8 1.0 OD1 A:ASP58 4.2 31.8 1.0 CG A:HIS118 4.2 28.7 1.0 CD2 A:HIS56 4.2 28.4 1.0 CG A:HIS54 4.3 25.9 1.0 ND1 A:HIS118 4.3 28.9 1.0 ND1 A:HIS54 4.3 27.6 1.0 O A:SER119 4.6 32.2 1.0 OD1 A:ASP144 4.6 26.4 1.0 OD2 A:ASP58 4.8 29.8 1.0 NE2 A:HIS59 4.9 26.0 1.0 CG A:ASP58 4.9 31.5 1.0 CA A:HIS56 4.9 26.9 1.0 CG A:HIS59 5.0 24.6 1.0

S.Kobus, S.H.Smits. Cloning, Expression, Purification and Preliminary X-Ray Analysis of IGNI18, A Novel Metallo Hydrolase From the Hyperthermophilic Archaeon Ignicoccus Hospitalis KIN4/I To Be Published.