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Calcium in PDB 4aig: Adamalysin II with Phosphonate Inhibitor

Enzymatic activity of Adamalysin II with Phosphonate Inhibitor

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

Protein crystallography data

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

Other elements in 4aig:

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

Zinc (Zn) 1 atom

Calcium Binding Sites:

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 4aig

Go back to Calcium Binding Sites List in 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

Reference:

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
Page generated: Sat Dec 12 04:38:57 2020

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