Cadmium in PDB 3pnr: Structure of Pbicp-C in Complex with Falcipain-2

The structure of Structure of Pbicp-C in Complex with Falcipain-2, PDB code: 3pnr was solved by G.Hansen, R.Hilgenfeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.89 / 2.60
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	71.150, 71.150, 120.090, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22.9

The binding sites of Cadmium atom in the Structure of Pbicp-C in Complex with Falcipain-2 (pdb code 3pnr). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Structure of Pbicp-C in Complex with Falcipain-2, PDB code: 3pnr:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Structure of Pbicp-C in Complex with Falcipain-2


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Structure of Pbicp-C in Complex with Falcipain-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd355 b:75.6 occ:1.00 OD1 B:ASP244 2.2 85.6 1.0 ND1 B:HIS242 2.4 82.0 1.0 O B:HOH358 2.5 54.4 1.0 OD2 B:ASP244 2.7 73.3 1.0 CG B:ASP244 2.8 82.2 1.0 CG B:HIS242 3.3 76.5 1.0 CE1 B:HIS242 3.3 71.1 1.0 CB B:HIS242 3.6 67.2 1.0 CB B:ASP244 4.3 80.2 1.0 NE2 B:HIS242 4.4 70.6 1.0 CD2 B:HIS242 4.4 72.5 1.0 CA B:HIS242 4.5 69.5 1.0 O B:ASP244 4.7 84.1 1.0 N B:ASP244 4.9 71.5 1.0

Cadmium binding site 2 out of 2 in the Structure of Pbicp-C in Complex with Falcipain-2


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Structure of Pbicp-C in Complex with Falcipain-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd356 b:87.8 occ:1.00 OD1 A:ASP154 2.5 72.3 1.0 O B:HOH363 2.6 45.2 1.0 O A:HOH273 2.6 62.6 1.0 SD B:MET316 2.7 0.6 1.0 CE B:MET316 3.0 89.3 1.0 OD2 A:ASP154 3.2 68.8 1.0 CG A:ASP154 3.2 69.7 1.0 OD2 B:ASP314 3.5 88.4 1.0 CG B:MET316 3.5 52.4 1.0 OD1 B:ASP314 3.9 96.9 1.0 CG B:ASP314 4.1 91.0 1.0 O B:HOH362 4.5 70.7 1.0 CB A:ASP154 4.7 61.5 1.0 CB B:MET316 4.8 64.8 1.0 CB B:LEU235 4.9 62.6 1.0

G.Hansen, A.Heitmann, T.Witt, H.Li, H.Jiang, X.Shen, V.T.Heussler, A.Rennenberg, R.Hilgenfeld. Structural Basis For the Regulation of Cysteine-Protease Activity By A New Class of Protease Inhibitors in Plasmodium. Structure V. 19 919 2011.
ISSN: ISSN 0969-2126
PubMed: 21742259
DOI: 10.1016/J.STR.2011.03.025