Calcium in PDB 3aig: Adamalysin II with Peptidomimetic Inhibitor POL656

All present enzymatic activity of Adamalysin II with Peptidomimetic Inhibitor POL656:
3.4.24.46;

The structure of Adamalysin II with Peptidomimetic Inhibitor POL656, PDB code: 3aig was solved by F.X.Gomis-Rueth, E.F.Meyer, L.F.Kress, V.Politi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 2.80
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	73.550, 73.550, 96.670, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / n/a

The structure of Adamalysin II with Peptidomimetic Inhibitor POL656 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Adamalysin II with Peptidomimetic Inhibitor POL656 (pdb code 3aig). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Adamalysin II with Peptidomimetic Inhibitor POL656, PDB code: 3aig:

Calcium binding site 1 out of 1 in the Adamalysin II with Peptidomimetic Inhibitor POL656


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Adamalysin II with Peptidomimetic Inhibitor POL656 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca250 b:8.9 occ:1.00 O A:CYS197 2.1 8.9 1.0 O A:HOH307 2.1 8.9 1.0 OD1 A:ASP93 2.1 8.9 1.0 OE2 A:GLU9 2.3 8.9 1.0 OD2 A:ASP93 2.5 8.9 1.0 OD1 A:ASN200 2.6 8.9 1.0 CG A:ASP93 2.6 8.9 1.0 C A:CYS197 3.3 8.9 1.0 CD A:GLU9 3.4 8.9 1.0 CG A:ASN200 3.4 8.9 1.0 ND2 A:ASN200 3.6 8.9 1.0 CG A:GLU9 3.8 8.9 1.0 CA A:CYS197 4.1 8.9 1.0 CB A:ASP93 4.1 8.9 1.0 N A:ILE198 4.3 8.9 1.0 CB A:CYS197 4.4 8.9 1.0 CB A:GLU9 4.4 8.9 1.0 OE1 A:GLU9 4.5 8.9 1.0 O A:TYR7 4.5 8.9 1.0 CD A:ARG91 4.5 8.9 1.0 O A:ASN200 4.6 8.9 1.0 CA A:ILE198 4.6 8.9 1.0 CB A:ASN200 4.8 8.9 1.0 SG A:CYS197 4.8 8.9 1.0 N A:ASP93 4.8 8.9 1.0 CA A:ASP93 4.9 8.9 1.0 N A:ASN200 4.9 8.9 1.0 N A:GLU9 5.0 8.9 1.0

F.X.Gomis-Ruth, E.F.Meyer, L.F.Kress, V.Politi. Structures of Adamalysin II with Peptidic Inhibitors. Implications For the Design of Tumor Necrosis Factor Alpha Convertase Inhibitors. Protein Sci. V. 7 283 1998.
ISSN: ISSN 0961-8368
PubMed: 9521103