Zinc in PDB 1zvx: Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer)

All present enzymatic activity of Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer):
3.4.24.34;

The structure of Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer), PDB code: 1zvx was solved by G.Pochetti, E.Gavuzzo, C.Campestre, M.Agamennone, P.Tortorella, V.Consalvi, C.Gallina, O.Hiller, H.Tschesche, P.A.Tucker, F.Mazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.706, 54.754, 68.413, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.4

The structure of Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer) also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer) (pdb code 1zvx). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer), PDB code: 1zvx:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn998 b:15.0 occ:1.00 NE2 A:HIS147 2.0 13.2 1.0 NE2 A:HIS162 2.1 14.7 1.0 OD2 A:ASP149 2.1 12.8 1.0 CD2 A:HIS175 2.4 12.4 1.0 CD2 A:HIS147 2.9 9.9 1.0 CE1 A:HIS162 2.9 16.8 1.0 CG A:ASP149 2.9 16.1 1.0 OD1 A:ASP149 3.1 10.6 1.0 CG A:HIS175 3.2 14.8 1.0 CE1 A:HIS147 3.2 10.5 1.0 CD2 A:HIS162 3.3 13.1 1.0 CB A:HIS175 3.5 12.1 1.0 NE2 A:HIS175 3.5 16.6 1.0 O A:SER151 3.9 20.1 1.0 ND1 A:HIS162 4.1 15.6 1.0 CG A:HIS147 4.1 9.4 1.0 ND1 A:HIS147 4.2 12.5 1.0 CE1 A:PHE164 4.3 17.4 1.0 CG A:HIS162 4.3 14.1 1.0 CB A:ASP149 4.3 16.9 1.0 ND1 A:HIS175 4.4 16.2 1.0 CZ A:PHE164 4.5 18.6 1.0 CE1 A:HIS175 4.5 15.5 1.0 CE2 A:PHE153 4.7 18.4 1.0 CZ A:PHE153 4.7 18.2 1.0 CD2 A:TYR143 4.9 14.0 1.0 CA A:HIS175 4.9 13.3 1.0 C A:SER151 4.9 23.2 1.0 O A:HOH1000 5.0 11.2 1.0 CB A:SER151 5.0 26.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Complex Between Mmp-8 and A Phosphonate Inhibitor (R-Enantiomer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn999 b:14.9 occ:1.00 O6 A:FIN994 2.0 15.9 1.0 NE2 A:HIS201 2.1 15.1 1.0 NE2 A:HIS197 2.1 17.9 1.0 NE2 A:HIS207 2.1 20.0 1.0 CD2 A:HIS207 2.9 19.3 1.0 CD2 A:HIS201 3.0 14.2 1.0 CD2 A:HIS197 3.1 15.2 1.0 CE1 A:HIS201 3.1 16.8 1.0 CE1 A:HIS197 3.1 18.0 1.0 P1 A:FIN994 3.1 17.9 1.0 CE1 A:HIS207 3.3 20.4 1.0 O4 A:FIN994 3.5 17.1 1.0 O5 A:FIN994 3.8 17.0 1.0 O A:HOH1053 3.9 36.1 1.0 CG A:HIS207 4.1 18.9 1.0 CG A:HIS201 4.2 13.2 1.0 ND1 A:HIS197 4.2 14.3 1.0 CG A:HIS197 4.2 14.5 1.0 ND1 A:HIS201 4.2 14.1 1.0 ND1 A:HIS207 4.3 21.4 1.0 OE2 A:GLU198 4.3 14.0 1.0 C10 A:FIN994 4.5 16.3 1.0 CE A:MET215 4.7 12.9 1.0 C8 A:FIN994 4.7 19.1 1.0 C9 A:FIN994 4.8 21.3 1.0 CD A:GLU198 4.9 15.0 1.0 OE1 A:GLU198 4.9 13.5 1.0 C7 A:FIN994 5.0 20.1 1.0 O A:HOH1008 5.0 18.4 1.0

G.Pochetti, E.Gavuzzo, C.Campestre, M.Agamennone, P.Tortorella, V.Consalvi, C.Gallina, O.Hiller, H.Tschesche, P.A.Tucker, F.Mazza. Structural Insight Into the Stereoselective Inhibition of Mmp-8 By Enantiomeric Sulfonamide Phosphonates. J.Med.Chem. V. 49 923 2006.
ISSN: ISSN 0022-2623
PubMed: 16451058
DOI: 10.1021/JM050787+