Calcium in PDB 830c: Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid

The structure of Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid, PDB code: 830c was solved by B.Lovejoy, A.Welch, S.Carr, C.Luong, C.Broka, R.T.Hendricks, J.Campbell, K.Walker, R.Martin, H.Van Wart, M.F.Browner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	136.072, 36.098, 96.368, 90.00, 131.06, 90.00
R / Rfree (%)	20.8 / 26.6

The structure of Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	4 atoms

The binding sites of Calcium atom in the Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid (pdb code 830c). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid, PDB code: 830c:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca274 b:7.7 occ:1.00 OE2 A:GLU205 2.0 13.7 1.0 O A:SER182 2.1 13.0 1.0 O A:GLY180 2.2 11.8 1.0 OD1 A:ASP179 2.2 10.2 1.0 OD2 A:ASP202 2.2 8.7 1.0 O A:LEU184 2.3 12.8 1.0 CD A:GLU205 3.2 10.9 1.0 C A:SER182 3.3 14.0 1.0 CG A:ASP202 3.4 8.7 1.0 CG A:ASP179 3.4 11.3 1.0 C A:GLY180 3.4 9.9 1.0 H A:ASP179 3.5 0.0 1.0 C A:LEU184 3.5 11.1 1.0 H A:LEU184 3.7 0.0 1.0 N A:LEU184 3.8 12.1 1.0 N A:SER182 3.8 14.1 1.0 H A:GLY180 3.9 0.0 1.0 C A:PRO181 4.0 10.7 1.0 H A:SER182 4.0 0.0 1.0 N A:GLY180 4.0 9.8 1.0 OD2 A:ASP179 4.0 10.8 1.0 CA A:SER182 4.1 15.4 1.0 OE1 A:GLU205 4.1 11.7 1.0 CA A:LEU184 4.1 12.1 1.0 CB A:ASP202 4.1 8.6 1.0 C A:GLY183 4.1 16.1 1.0 CG A:GLU205 4.2 10.5 1.0 C A:ASP179 4.3 12.6 1.0 OD1 A:ASP202 4.3 7.7 1.0 N A:GLY183 4.3 16.6 1.0 N A:ASP179 4.3 12.1 1.0 O A:PRO181 4.3 15.3 1.0 CA A:GLY180 4.3 9.6 1.0 N A:PRO181 4.3 9.4 1.0 CA A:PRO181 4.4 10.0 1.0 CA A:GLY183 4.5 16.4 1.0 CB A:LEU184 4.5 14.5 1.0 N A:LEU185 4.6 7.4 1.0 CA A:ASP179 4.6 12.4 1.0 CB A:ASP179 4.6 11.7 1.0 H1 A:HOH277 4.7 0.0 1.0 O A:GLY183 4.7 14.6 1.0 O A:ASP179 4.8 11.8 1.0 CA A:LEU185 4.8 6.7 1.0

Calcium binding site 2 out of 2 in the Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Collagenase-3 (Mmp-13) Complexed to A Sulphone-Based Hydroxamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca274 b:12.8 occ:1.00 OE2 B:GLU205 1.9 13.5 1.0 O B:GLY180 2.2 14.0 1.0 OD1 B:ASP179 2.2 15.2 1.0 O B:SER182 2.2 13.7 1.0 OD2 B:ASP202 2.2 8.0 1.0 O B:LEU184 2.3 13.0 1.0 CD B:GLU205 3.1 13.0 1.0 CG B:ASP202 3.3 7.1 1.0 H B:ASP179 3.4 0.0 1.0 C B:GLY180 3.4 11.4 1.0 C B:SER182 3.4 13.9 1.0 CG B:ASP179 3.4 14.8 1.0 C B:LEU184 3.5 10.5 1.0 N B:SER182 3.8 14.4 1.0 N B:LEU184 3.9 12.1 1.0 C B:PRO181 3.9 15.0 1.0 H B:GLY180 4.0 0.0 1.0 OE1 B:GLU205 4.0 14.1 1.0 H B:LEU184 4.0 0.0 1.0 H B:SER182 4.0 0.0 1.0 N B:GLY180 4.0 10.5 1.0 CG B:GLU205 4.1 12.9 1.0 CB B:ASP202 4.1 8.2 1.0 OD2 B:ASP179 4.1 16.5 1.0 O B:HOH326 4.2 31.8 1.0 C B:GLY183 4.2 11.8 1.0 H2 B:HOH326 4.2 0.0 1.0 C B:ASP179 4.2 13.8 1.0 CA B:LEU184 4.2 12.2 1.0 CA B:SER182 4.2 15.1 1.0 OD1 B:ASP202 4.2 8.5 1.0 N B:ASP179 4.3 13.9 1.0 N B:PRO181 4.3 14.8 1.0 CA B:PRO181 4.3 15.3 1.0 O B:PRO181 4.3 16.1 1.0 CA B:GLY180 4.4 10.7 1.0 N B:GLY183 4.4 12.6 1.0 N B:LEU185 4.5 7.9 1.0 CA B:ASP179 4.5 13.8 1.0 CB B:ASP179 4.6 14.7 1.0 CA B:GLY183 4.6 12.2 1.0 CB B:LEU184 4.6 15.9 1.0 O B:GLY183 4.7 13.6 1.0 O B:ASP179 4.7 13.4 1.0 CA B:LEU185 4.7 8.6 1.0 H1 B:HOH326 4.9 0.0 1.0 H1 B:HOH276 4.9 0.0 1.0

B.Lovejoy, A.R.Welch, S.Carr, C.Luong, C.Broka, R.T.Hendricks, J.A.Campbell, K.A.Walker, R.Martin, H.Van Wart, M.F.Browner. Crystal Structures of Mmp-1 and -13 Reveal the Structural Basis For Selectivity of Collagenase Inhibitors. Nat.Struct.Biol. V. 6 217 1999.
ISSN: ISSN 1072-8368
PubMed: 10074939
DOI: 10.1038/6657