Zinc in PDB 3e1z: Crystal Structure of the Parasite Protesase Inhibitor Chagasin in Complex with Papain

All present enzymatic activity of Crystal Structure of the Parasite Protesase Inhibitor Chagasin in Complex with Papain:
3.4.22.2;

The structure of Crystal Structure of the Parasite Protesase Inhibitor Chagasin in Complex with Papain, PDB code: 3e1z was solved by I.Redzynia, G.Bujacz, A.Bujacz, A.Ljunggren, M.Abrahamson, M.Jaskolski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.00 / 1.86
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.130, 99.130, 159.490, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.8

The binding sites of Zinc atom in the Crystal Structure of the Parasite Protesase Inhibitor Chagasin in Complex with Papain (pdb code 3e1z). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the Parasite Protesase Inhibitor Chagasin in Complex with Papain, PDB code: 3e1z:

Zinc binding site 1 out of 1 in the Crystal Structure of the Parasite Protesase Inhibitor Chagasin in Complex with Papain


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 the Parasite Protesase Inhibitor Chagasin in Complex with Papain within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn111 b:35.2 occ:1.00 NE2 A:HIS74 1.9 26.7 1.0 OE2 A:GLU23 2.0 36.8 1.0 O2 A:FMT113 2.1 37.0 1.0 ND1 A:HIS72 2.1 30.6 1.0 C A:FMT113 2.7 35.6 1.0 CD A:GLU23 2.7 33.5 1.0 O1 A:FMT113 2.8 34.2 1.0 OE1 A:GLU23 2.9 32.7 1.0 CE1 A:HIS74 2.9 29.1 1.0 CD2 A:HIS74 2.9 29.3 1.0 CE1 A:HIS72 3.1 33.1 1.0 CG A:HIS72 3.1 30.9 1.0 CB A:HIS72 3.4 29.8 1.0 ND1 A:HIS74 4.0 28.2 1.0 CG A:HIS74 4.0 30.7 1.0 NE2 A:GLN25 4.1 40.1 1.0 CG A:GLU23 4.2 35.1 1.0 NE2 A:HIS72 4.2 34.9 1.0 CD2 A:HIS72 4.3 31.5 1.0 CA A:HIS72 4.7 30.9 1.0 CG A:GLN25 4.8 34.2 1.0 CE1 A:PHE58 4.8 36.9 1.0 CD A:GLN25 4.8 35.4 1.0

I.Redzynia, A.Ljunggren, A.Bujacz, M.Abrahamson, M.Jaskolski, G.Bujacz. Crystal Structure of the Parasite Inhibitor Chagasin in Complex with Papain Allows Identification of Structural Requirements For Broad Reactivity and Specificity Determinants For Target Proteases. Febs J. V. 276 793 2009.
ISSN: ISSN 1742-464X
PubMed: 19143838
DOI: 10.1111/J.1742-4658.2008.06824.X