Zinc in PDB 4c8i: Ispf (Burkholderia Cenocepacia) Citrate Complex

All present enzymatic activity of Ispf (Burkholderia Cenocepacia) Citrate Complex:
4.6.1.12;

The structure of Ispf (Burkholderia Cenocepacia) Citrate Complex, PDB code: 4c8i 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)	22.81 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.700, 52.460, 72.140, 90.00, 94.62, 90.00
R / Rfree (%)	15.581 / 19.792

The binding sites of Zinc atom in the Ispf (Burkholderia Cenocepacia) Citrate Complex (pdb code 4c8i). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Ispf (Burkholderia Cenocepacia) Citrate Complex, PDB code: 4c8i:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Ispf (Burkholderia Cenocepacia) Citrate Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Ispf (Burkholderia Cenocepacia) Citrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1161 b:15.4 occ:0.80 ND1 A:HIS44 1.9 15.1 1.0 NE2 A:HIS12 2.0 19.6 1.0 OD2 A:ASP10 2.0 15.8 1.0 O3 A:CIT1160 2.2 28.4 0.8 O4 A:CIT1160 2.7 28.3 0.8 CG A:ASP10 2.7 15.3 1.0 C5 A:CIT1160 2.8 34.2 0.8 CE1 A:HIS44 2.8 17.7 1.0 OD1 A:ASP10 2.9 15.9 1.0 CD2 A:HIS12 3.0 17.4 1.0 CE1 A:HIS12 3.0 21.1 1.0 CG A:HIS44 3.0 14.6 1.0 CB A:HIS44 3.5 12.0 1.0 O A:HOH2015 3.9 24.7 1.0 NE2 A:HIS44 4.0 16.9 1.0 ND1 A:HIS12 4.1 19.7 1.0 CD2 A:HIS44 4.1 16.2 1.0 CG A:HIS12 4.1 18.3 1.0 CB A:ASP10 4.2 13.3 1.0 C4 A:CIT1160 4.3 38.2 0.8 NZ B:LYS134 4.4 23.0 1.0 CA A:VAL41 4.7 14.9 1.0 O A:ASP40 4.8 11.9 1.0 C A:ALA39 4.9 16.4 1.0 CA A:ALA39 4.9 20.0 1.0 O A:VAL11 4.9 15.2 1.0 O2 A:CIT1160 5.0 42.5 0.8

Zinc binding site 2 out of 3 in the Ispf (Burkholderia Cenocepacia) Citrate Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Ispf (Burkholderia Cenocepacia) Citrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1161 b:14.0 occ:1.00 O4 B:CIT1160 1.9 16.0 1.0 NE2 B:HIS12 2.0 11.7 1.0 OD2 B:ASP10 2.1 11.4 1.0 ND1 B:HIS44 2.1 10.7 1.0 O7 B:CIT1160 2.7 20.9 1.0 CG B:ASP10 2.8 11.8 1.0 CD2 B:HIS12 2.9 11.8 1.0 CE1 B:HIS12 3.0 12.7 1.0 OD1 B:ASP10 3.0 12.6 1.0 C5 B:CIT1160 3.1 23.1 1.0 CE1 B:HIS44 3.1 10.7 1.0 CG B:HIS44 3.1 10.4 1.0 C3 B:CIT1160 3.4 23.3 1.0 CB B:HIS44 3.5 9.3 1.0 C4 B:CIT1160 3.6 23.0 1.0 O B:HOH2024 3.9 18.5 1.0 ND1 B:HIS12 4.1 11.9 1.0 CG B:HIS12 4.1 11.6 1.0 O3 B:CIT1160 4.2 23.9 1.0 NZ C:LYS134 4.2 18.4 1.0 CB B:ASP10 4.2 11.5 1.0 NE2 B:HIS44 4.2 11.4 1.0 CD2 B:HIS44 4.3 10.2 1.0 C2 B:CIT1160 4.5 23.7 1.0 C6 B:CIT1160 4.6 25.1 1.0 CA B:VAL41 4.7 11.0 1.0 O5 B:CIT1160 4.8 20.0 1.0 CA B:ALA39 4.9 12.8 1.0 O B:ASP40 4.9 10.1 1.0 C B:ALA39 5.0 12.4 1.0 O1 B:CIT1160 5.0 20.5 1.0 CA B:HIS44 5.0 9.9 1.0

Zinc binding site 3 out of 3 in the Ispf (Burkholderia Cenocepacia) Citrate Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Ispf (Burkholderia Cenocepacia) Citrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1162 b:20.2 occ:1.00 OD2 C:ASP10 2.0 12.1 1.0 ND1 C:HIS44 2.1 16.1 1.0 NE2 C:HIS12 2.2 14.4 1.0 O4 C:CIT1160 2.2 24.3 0.8 O3 C:CIT1160 2.6 24.9 0.8 C5 C:CIT1160 2.7 29.6 0.8 CG C:ASP10 2.7 13.3 1.0 OD1 C:ASP10 2.9 13.6 1.0 CD2 C:HIS12 3.1 14.9 1.0 CG C:HIS44 3.1 13.5 1.0 CE1 C:HIS44 3.1 15.8 1.0 CE1 C:HIS12 3.1 15.6 1.0 CB C:HIS44 3.4 11.9 1.0 O A:HOH2082 3.9 33.4 1.0 CB C:ASP10 4.2 11.5 1.0 C4 C:CIT1160 4.2 32.5 0.8 NE2 C:HIS44 4.2 13.4 1.0 ND1 C:HIS12 4.3 16.5 1.0 CG C:HIS12 4.3 14.9 1.0 CD2 C:HIS44 4.3 14.1 1.0 NZ A:LYS134 4.3 16.1 1.0 CA C:VAL41 4.6 10.3 1.0 O C:ASP40 4.8 9.2 1.0 CA C:ALA39 4.9 12.3 1.0 C C:ALA39 5.0 11.7 1.0

P.E.F.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