Calcium 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:

Zinc

(Zn)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism For Collagen Substrate Recognition, PDB code: 1jj9:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca996 b:14.5 occ:1.00 O A:HOH511 1.6 33.5 1.0 O A:GLY169 2.2 17.1 1.0 O A:GLY171 2.2 15.6 1.0 O A:ASP137 2.3 15.5 1.0 OD2 A:ASP173 2.4 14.0 1.0 CG A:ASP173 3.4 12.4 1.0 C A:GLY169 3.4 16.5 1.0 C A:GLY171 3.5 14.9 1.0 C A:ASP137 3.5 15.1 1.0 OD1 A:ASP173 3.8 13.6 1.0 C A:ILE170 3.9 15.9 1.0 N A:GLY171 4.0 15.9 1.0 O A:ILE170 4.1 16.0 1.0 N A:ASP173 4.1 11.2 1.0 O A:GLY167 4.2 16.4 1.0 O A:ALA136 4.2 20.4 1.0 CA A:GLY171 4.3 15.0 1.0 CA A:ASP137 4.3 17.0 1.0 N A:ILE170 4.3 16.1 1.0 CA A:GLY169 4.4 17.0 1.0 CA A:ILE170 4.4 15.7 1.0 N A:GLY169 4.4 17.8 1.0 N A:GLY172 4.5 13.9 1.0 N A:ILE138 4.5 13.7 1.0 CA A:ILE138 4.6 12.7 1.0 ND2 A:ASN139 4.6 10.8 1.0 CB A:ASP173 4.6 12.1 1.0 C A:GLY172 4.6 11.9 1.0 CA A:GLY172 4.6 12.1 1.0 N A:ASN139 4.8 11.7 1.0 CA A:ASP173 4.8 11.0 1.0 CH2 A:TRP88 4.8 26.8 1.0 C A:GLN168 4.8 17.9 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca997 b:13.3 occ:1.00 OE1 A:GLU180 2.1 12.4 1.0 O A:ASN157 2.1 19.6 1.0 O A:GLY155 2.2 20.9 1.0 OD2 A:ASP154 2.3 15.1 1.0 O A:ILE159 2.3 18.1 1.0 OD1 A:ASP177 2.5 17.4 1.0 CD A:GLU180 3.3 13.6 1.0 C A:ASN157 3.3 20.0 1.0 C A:GLY155 3.4 20.3 1.0 CG A:ASP154 3.5 16.6 1.0 CG A:ASP177 3.5 16.0 1.0 C A:ILE159 3.5 18.0 1.0 N A:ASN157 3.8 21.2 1.0 N A:ILE159 3.9 18.9 1.0 C A:PRO156 4.0 21.3 1.0 N A:GLY155 4.0 18.0 1.0 CB A:ASP177 4.0 15.1 1.0 OD1 A:ASP154 4.1 17.1 1.0 OE2 A:GLU180 4.1 13.8 1.0 CA A:ASN157 4.1 20.5 1.0 C A:GLY158 4.2 19.2 1.0 C A:ASP154 4.3 17.7 1.0 CG A:GLU180 4.3 13.1 1.0 N A:PRO156 4.3 20.8 1.0 CA A:GLY155 4.3 19.3 1.0 CA A:ILE159 4.3 18.7 1.0 N A:GLY158 4.4 19.6 1.0 O A:PRO156 4.4 21.5 1.0 N A:ASP154 4.4 18.4 1.0 OD2 A:ASP177 4.4 15.6 1.0 N A:LEU160 4.4 16.7 1.0 CA A:PRO156 4.5 21.1 1.0 CA A:GLY158 4.5 19.3 1.0 O A:HOH672 4.6 45.7 1.0 CA A:ASP154 4.6 17.8 1.0 CB A:ASP154 4.6 17.3 1.0 CA A:LEU160 4.6 15.9 1.0 O A:GLY158 4.7 18.8 1.0 O A:ASP154 4.8 17.8 1.0 CG1 A:ILE159 4.8 21.7 1.0 CD1 A:LEU160 5.0 15.7 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