Zinc in PDB 1zp5: Crystal Structure of the Complex Between Mmp-8 and A N-Hydroxyurea Inhibitor

All present enzymatic activity of Crystal Structure of the Complex Between Mmp-8 and A N-Hydroxyurea Inhibitor:
3.4.24.34;

The structure of Crystal Structure of the Complex Between Mmp-8 and A N-Hydroxyurea Inhibitor, PDB code: 1zp5 was solved by C.Campestre, M.Agamennone, P.Tortorella, S.Preziuso, A.Biasone, E.Gavuzzo, G.Pochetti, F.Mazza, H.Tschesche, C.Gallina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.387, 52.675, 67.331, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.1

The structure of Crystal Structure of the Complex Between Mmp-8 and A N-Hydroxyurea Inhibitor 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 N-Hydroxyurea Inhibitor (pdb code 1zp5). 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 N-Hydroxyurea Inhibitor, PDB code: 1zp5:
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 N-Hydroxyurea Inhibitor


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 N-Hydroxyurea Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn998 b:13.6 occ:1.00 OD2 A:ASP149 2.0 14.9 1.0 NE2 A:HIS162 2.0 13.2 1.0 ND1 A:HIS175 2.1 12.7 1.0 NE2 A:HIS147 2.1 14.2 1.0 CD2 A:HIS147 2.9 13.9 1.0 CG A:ASP149 2.9 16.2 1.0 CE1 A:HIS162 2.9 15.2 1.0 CG A:HIS175 3.0 11.4 1.0 CE1 A:HIS175 3.1 13.2 1.0 OD1 A:ASP149 3.1 15.0 1.0 CD2 A:HIS162 3.2 11.2 1.0 CE1 A:HIS147 3.2 12.8 1.0 CB A:HIS175 3.3 12.4 1.0 ND1 A:HIS162 4.1 13.6 1.0 CG A:HIS147 4.1 12.3 1.0 CE1 A:PHE164 4.1 23.7 1.0 NE2 A:HIS175 4.2 15.4 1.0 CD2 A:HIS175 4.2 13.0 1.0 ND1 A:HIS147 4.2 11.9 1.0 CB A:ASP149 4.2 17.9 1.0 CG A:HIS162 4.2 13.4 1.0 CZ A:PHE164 4.2 24.5 1.0 O A:SER151 4.3 20.4 1.0 CZ A:PHE153 4.5 12.3 1.0 CE2 A:PHE153 4.5 13.2 1.0 CB A:SER151 4.8 29.9 1.0 CA A:HIS175 4.8 11.2 1.0 O A:HOH1004 4.9 20.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Complex Between Mmp-8 and A N-Hydroxyurea Inhibitor


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 N-Hydroxyurea Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn999 b:19.7 occ:1.00 NE2 A:HIS201 2.1 15.7 1.0 NE2 A:HIS197 2.1 15.5 1.0 NE2 A:HIS207 2.1 18.9 1.0 O3 A:2NI1000 2.3 36.4 1.0 CD2 A:HIS201 2.9 15.3 1.0 CD2 A:HIS207 2.9 20.0 1.0 CD2 A:HIS197 3.0 16.6 1.0 CE1 A:HIS197 3.1 16.2 1.0 CE1 A:HIS207 3.1 22.3 1.0 N3 A:2NI1000 3.1 41.2 1.0 CE1 A:HIS201 3.1 16.6 1.0 C17 A:2NI1000 4.0 40.8 1.0 CG A:HIS207 4.1 19.3 1.0 CG A:HIS201 4.1 16.8 1.0 CG A:HIS197 4.1 15.3 1.0 ND1 A:HIS207 4.1 19.6 1.0 ND1 A:HIS197 4.2 17.0 1.0 ND1 A:HIS201 4.2 15.3 1.0 O A:HOH1069 4.4 27.7 1.0 OE2 A:GLU198 4.4 18.6 1.0 O2 A:2NI1000 4.4 42.1 1.0 CE A:MET215 4.6 14.2 1.0 OE1 A:GLU198 4.7 15.6 1.0 C1 A:2NI1000 4.7 38.1 1.0 C2 A:2NI1000 4.8 39.6 1.0 CD A:GLU198 4.9 17.2 1.0 N2 A:2NI1000 5.0 40.8 1.0

C.Campestre, M.Agamennone, P.Tortorella, S.Preziuso, A.Biasone, E.Gavuzzo, G.Pochetti, F.Mazza, O.Hiller, H.Tschesche, V.Consalvi, C.Gallina. N-Hydroxyurea As Zinc Binding Group in Matrix Metalloproteinase Inhibition: Mode of Binding in A Complex with Mmp-8. Bioorg.Med.Chem.Lett. V. 16 20 2006.
ISSN: ISSN 0960-894X
PubMed: 16242329
DOI: 10.1016/J.BMCL.2005.09.057