Zinc in PDB 1jj9: Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition

All present enzymatic activity of Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition:
3.4.24.34;

The structure of Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition, PDB code: 1jj9 was solved by H.Brandstetter, F.Grams, D.Glitz, A.Lang, R.Huber, W.Bode, H.-W.Krell, R.A.Engh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.020, 69.230, 88.470, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 29.6

The structure of Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition (pdb code 1jj9). 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 MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition, PDB code: 1jj9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition


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 MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn998 b:15.7 occ:1.00 ND1 A:HIS175 2.0 10.4 1.0 OD2 A:ASP149 2.0 17.9 1.0 NE2 A:HIS162 2.0 14.3 1.0 NE2 A:HIS147 2.1 15.5 1.0 CD2 A:HIS147 2.8 14.8 1.0 CE1 A:HIS175 2.9 9.6 1.0 CG A:ASP149 2.9 19.8 1.0 CE1 A:HIS162 3.0 14.3 1.0 CG A:HIS175 3.1 9.2 1.0 CD2 A:HIS162 3.1 13.7 1.0 OD1 A:ASP149 3.1 18.6 1.0 CE1 A:HIS147 3.2 16.0 1.0 CB A:HIS175 3.5 9.2 1.0 NE2 A:HIS175 4.0 8.8 1.0 CG A:HIS147 4.1 15.7 1.0 CD2 A:HIS175 4.2 9.4 1.0 ND1 A:HIS162 4.2 14.8 1.0 O A:SER151 4.2 22.8 1.0 CE2 A:PHE164 4.2 16.8 1.0 CG A:HIS162 4.2 14.7 1.0 CB A:ASP149 4.2 21.6 1.0 ND1 A:HIS147 4.2 16.0 1.0 CZ A:PHE164 4.3 16.9 1.0 CZ A:PHE153 4.6 18.8 1.0 CE2 A:PHE153 4.7 19.3 1.0 O A:HOH541 4.8 15.8 1.0 CD2 A:TYR143 4.9 12.4 1.0 CA A:HIS175 5.0 10.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition


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 MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn999 b:13.8 occ:1.00 NE2 A:HIS201 2.0 12.2 1.0 NE2 A:HIS207 2.0 12.7 1.0 NE2 A:HIS197 2.0 10.8 1.0 N1 A:BBT1000 2.1 16.7 1.0 CE1 A:HIS201 2.9 13.0 1.0 O2 A:BBT1000 2.9 15.2 1.0 C2 A:BBT1000 3.0 15.9 1.0 CD2 A:HIS207 3.0 12.4 1.0 CE1 A:HIS197 3.0 10.1 1.0 C6 A:BBT1000 3.0 17.4 1.0 CE1 A:HIS207 3.0 12.7 1.0 CD2 A:HIS201 3.1 12.2 1.0 CD2 A:HIS197 3.1 10.2 1.0 O6 A:BBT1000 3.2 17.6 1.0 O A:HOH663 4.0 54.2 1.0 ND1 A:HIS201 4.1 12.0 1.0 CG A:HIS207 4.1 12.4 1.0 ND1 A:HIS207 4.1 12.6 1.0 ND1 A:HIS197 4.1 9.5 1.0 CG A:HIS201 4.2 11.2 1.0 CG A:HIS197 4.2 9.5 1.0 N3 A:BBT1000 4.2 16.4 1.0 C5 A:BBT1000 4.3 17.0 1.0 CG A:BBT1000 4.5 16.1 1.0 CD2 A:BBT1000 4.7 15.5 1.0 CE A:MET215 4.8 13.3 1.0 C4 A:BBT1000 4.8 17.1 1.0 O A:HOH548 4.9 42.8 1.0 O A:HOH558 4.9 15.1 1.0

H.Brandstetter, F.Grams, D.Glitz, A.Lang, R.Huber, W.Bode, H.W.Krell, R.A.Engh. The 1.8-A Crystal Structure of A Matrix Metalloproteinase 8-Barbiturate Inhibitor Complex Reveals A Previously Unobserved Mechanism For Collagenase Substrate Recognition. J.Biol.Chem. V. 276 17405 2001.
ISSN: ISSN 0021-9258
PubMed: 11278347
DOI: 10.1074/JBC.M007475200