Cadmium in PDB 4auc: Bovine Chymosin in Complex with Pepstatin A

All present enzymatic activity of Bovine Chymosin in Complex with Pepstatin A:
3.4.23.4;

The structure of Bovine Chymosin in Complex with Pepstatin A, PDB code: 4auc was solved by J.Langholm Jensen, J.C.Navarro Poulsen, J.Jacobsen, J.M.Van Den Brink, K.B.Qvist, S.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.39 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.500, 93.500, 89.000, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 19.7

The structure of Bovine Chymosin in Complex with Pepstatin A also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Cadmium atom in the Bovine Chymosin in Complex with Pepstatin A (pdb code 4auc). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total only one binding site of Cadmium was determined in the Bovine Chymosin in Complex with Pepstatin A, PDB code: 4auc:

Cadmium binding site 1 out of 1 in the Bovine Chymosin in Complex with Pepstatin A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Bovine Chymosin in Complex with Pepstatin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1325 b:19.8 occ:1.00 O A:HOH2159 2.3 24.6 1.0 OD1 A:ASP151 2.4 14.7 1.0 OD2 A:ASP151 2.4 17.9 1.0 CG A:ASP151 2.7 18.0 1.0 O A:HOH2158 2.8 22.9 1.0 O A:HOH2165 3.5 23.6 1.0 CB A:ASP151 4.2 13.0 1.0 O A:MET143 4.4 18.8 1.0 ND1 A:HIS146 4.6 20.9 1.0 O2 A:EDO1326 4.7 34.3 1.0 N A:ASP151 4.8 14.3 1.0 C2 A:EDO1326 4.9 37.4 1.0 CE1 A:HIS146 4.9 28.5 1.0 CB A:MET143 5.0 19.0 1.0 CA A:ASP151 5.0 12.1 1.0

J.Langholm Jensen, J.C.Navarro Poulsen, J.Jacobsen, J.M.Van Den Brink, K.B.Qvist, S.Larsen. The Structure of Bovine Chymosin in Complex with Pepstatin A To Be Published.