Zinc in PDB 4c82: Ispf (Plasmodium Falciparum) Unliganded Structure

All present enzymatic activity of Ispf (Plasmodium Falciparum) Unliganded Structure:
4.6.1.12;

The structure of Ispf (Plasmodium Falciparum) Unliganded Structure, PDB code: 4c82 was solved by P.E.F.O'rourke, J.Kalinowska-Tluscik, P.K.Fyfe, A.Dawson, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.72 / 2.00
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	84.223, 84.223, 102.451, 90.00, 90.00, 120.00
R / Rfree (%)	19.441 / 22.629

The binding sites of Zinc atom in the Ispf (Plasmodium Falciparum) Unliganded Structure (pdb code 4c82). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Ispf (Plasmodium Falciparum) Unliganded Structure, PDB code: 4c82:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Ispf (Plasmodium Falciparum) Unliganded Structure


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Ispf (Plasmodium Falciparum) Unliganded Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1240 b:29.4 occ:1.00 ND1 A:HIS123 2.0 29.9 1.0 OD2 A:ASP71 2.0 29.3 1.0 NE2 A:HIS73 2.1 31.4 1.0 CG A:ASP71 2.8 25.6 1.0 OD1 A:ASP71 2.9 22.4 1.0 CE1 A:HIS123 2.9 33.0 1.0 CD2 A:HIS73 3.0 26.8 1.0 CE1 A:HIS73 3.0 31.5 1.0 CG A:HIS123 3.1 29.6 1.0 CB A:HIS123 3.5 27.0 1.0 O A:HOH2009 4.1 59.2 1.0 NE2 A:HIS123 4.1 30.2 1.0 CG A:HIS73 4.1 26.9 1.0 ND1 A:HIS73 4.1 28.6 1.0 CD2 A:HIS123 4.2 29.1 1.0 CB A:ASP71 4.3 22.0 1.0 OG A:SER116 4.4 48.9 1.0 O A:ASP119 4.8 27.3 1.0 CA A:ILE120 4.8 31.0 1.0 O A:HOH2008 4.9 31.1 1.0 C A:ASP119 4.9 30.2 1.0 CA A:HIS123 5.0 25.6 1.0

Zinc binding site 2 out of 2 in the Ispf (Plasmodium Falciparum) Unliganded Structure


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Ispf (Plasmodium Falciparum) Unliganded Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1241 b:64.5 occ:1.00 NE2 A:HIS215 2.6 25.9 1.0 O A:HOH2088 2.8 37.0 1.0 CD2 A:HIS215 3.6 23.1 1.0 CE1 A:HIS215 3.6 24.2 1.0 O A:HOH2087 4.5 21.4 1.0 ND1 A:HIS215 4.8 21.4 1.0 CG A:HIS215 4.8 24.7 1.0 OE2 A:GLU228 4.9 33.2 1.0

P.E.O Rourke, J.Kalinowska-Tluscik, P.K.Fyfe, A.Dawson, W.N.Hunter. Crystal Structures of Ispf From Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment. Bmc Struct.Biol. V. 14 1 2014.
ISSN: ISSN 1472-6807
PubMed: 24410837
DOI: 10.1186/1472-6807-14-1