Calcium in PDB 4aig: Adamalysin II with Phosphonate Inhibitor

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

The structure of Adamalysin II with Phosphonate Inhibitor, PDB code: 4aig was solved by G.Pochetti, F.Mazza, E.Gavuzzo, M.Cirilli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.00
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	73.500, 73.500, 96.900, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / n/a

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

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Adamalysin II with Phosphonate Inhibitor (pdb code 4aig). 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 Phosphonate Inhibitor, PDB code: 4aig:

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


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 Phosphonate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca250 b:14.1 occ:1.00 O A:CYS197 2.3 14.2 1.0 OD1 A:ASN200 2.4 11.1 1.0 OD1 A:ASP93 2.4 17.6 1.0 OE1 A:GLU9 2.5 15.8 1.0 O A:HOH504 2.5 8.9 1.0 OD2 A:ASP93 2.7 10.5 1.0 CG A:ASP93 2.9 16.6 1.0 CG A:ASN200 3.4 23.1 1.0 CD A:GLU9 3.4 16.3 1.0 C A:CYS197 3.5 12.6 1.0 ND2 A:ASN200 3.8 16.9 1.0 CG A:GLU9 4.0 11.5 1.0 CA A:CYS197 4.2 17.5 1.0 CB A:ASP93 4.4 11.0 1.0 OE2 A:GLU9 4.4 22.5 1.0 CB A:GLU9 4.4 17.1 1.0 N A:ILE198 4.5 15.2 1.0 CB A:CYS197 4.5 18.4 1.0 O A:ASN200 4.6 13.3 1.0 O A:TYR7 4.6 20.7 1.0 CA A:ILE198 4.7 13.9 1.0 CB A:ASN200 4.7 14.5 1.0 O A:HOH654 4.7 42.4 1.0 NE A:ARG91 4.7 16.6 1.0 CD A:ARG91 4.8 12.5 1.0 N A:ASN200 4.8 17.5 1.0 N A:GLU9 4.9 11.6 1.0

M.Cirilli, C.Gallina, E.Gavuzzo, C.Giordano, F.X.Gomis-Ruth, B.Gorini, L.F.Kress, F.Mazza, M.P.Paradisi, G.Pochetti, V.Politi. 2 Angstrom X-Ray Structure of Adamalysin II Complexed with A Peptide Phosphonate Inhibitor Adopting A Retro-Binding Mode. Febs Lett. V. 418 319 1997.
ISSN: ISSN 0014-5793
PubMed: 9428736
DOI: 10.1016/S0014-5793(97)01401-4