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

Enzymatic activity of Ispf (Plasmodium Falciparum) Unliganded Structure

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

Protein crystallography data

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

Zinc Binding Sites:

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 4c82

Go back to Zinc Binding Sites List in 4c82
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 4c82

Go back to Zinc Binding Sites List in 4c82
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

Reference:

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
Page generated: Wed Dec 16 05:08:03 2020

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