Calcium in PDB 1eub: Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor

The structure of Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

40 atoms

The binding sites of Calcium atom in the Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor (pdb code 1eub). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor, PDB code: 1eub:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca277 b:9.1 occ:1.00 O A:GLY196 2.5 0.2 1.0 O A:ASP162 2.6 0.1 1.0 OD1 A:ASP198 2.6 0.1 1.0 H A:GLY196 2.6 0.0 1.0 O A:ASN194 2.6 0.6 1.0 N A:GLY196 2.9 0.2 1.0 C A:ASN194 3.0 0.6 1.0 HA A:TYR195 3.2 0.0 1.0 C A:TYR195 3.4 0.5 1.0 N A:TYR195 3.4 0.5 1.0 C A:GLY196 3.4 0.2 1.0 CA A:TYR195 3.5 0.5 1.0 C A:ASP162 3.5 0.1 1.0 HA A:ASP162 3.5 0.0 1.0 HA A:ASN194 3.6 0.0 1.0 CG A:ASP198 3.6 0.1 1.0 CA A:GLY196 3.7 0.2 1.0 CA A:ASN194 3.9 0.6 1.0 O A:PRO193 4.0 0.5 1.0 H A:TYR195 4.1 0.0 1.0 CA A:ASP162 4.1 0.1 1.0 HA3 A:GLY196 4.1 0.0 1.0 HA A:ILE163 4.2 0.0 1.0 OD2 A:ASP198 4.2 0.1 1.0 O A:TYR195 4.2 0.5 1.0 O A:ALA161 4.3 0.2 1.0 HG2 A:MET164 4.5 0.0 1.0 HA A:ASP198 4.5 0.0 1.0 N A:ASP198 4.6 0.1 1.0 N A:ILE163 4.6 0.1 1.0 H A:ASP198 4.6 0.0 1.0 N A:GLY197 4.6 0.1 1.0 HA2 A:GLY196 4.6 0.0 1.0 C A:GLY197 4.8 0.1 1.0 C A:PRO193 4.8 0.5 1.0 CB A:ASP198 4.8 0.1 1.0 N A:ASN194 4.8 0.6 1.0 CA A:ILE163 4.9 0.1 1.0 CA A:ASP198 4.9 0.1 1.0 HB3 A:ASN194 5.0 0.0 1.0 N A:ASP162 5.0 0.1 1.0 CB A:TYR195 5.0 0.5 1.0

Calcium binding site 2 out of 2 in the Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca278 b:7.5 occ:1.00 OD2 A:ASP202 2.5 0.1 1.0 OE2 A:GLU205 2.5 0.4 1.0 OD1 A:ASP179 2.6 0.2 1.0 O A:SER182 2.6 0.6 1.0 O A:LEU184 2.6 0.4 1.0 O A:GLY180 2.6 0.2 1.0 HB3 A:LEU184 2.9 0.0 1.0 HB3 A:SER182 3.0 0.0 1.0 HG2 A:GLU205 3.0 0.0 1.0 H A:LEU184 3.1 0.0 1.0 HG3 A:GLU205 3.2 0.0 1.0 N A:SER182 3.2 0.6 1.0 O A:ASP179 3.3 0.2 1.0 HB3 A:ASP202 3.3 0.0 1.0 CD A:GLU205 3.3 0.4 1.0 C A:SER182 3.3 0.6 1.0 C A:LEU184 3.3 0.4 1.0 CG A:ASP202 3.4 0.1 1.0 CG A:GLU205 3.4 0.4 1.0 H A:SER182 3.4 0.0 1.0 C A:PRO181 3.4 0.4 1.0 HB2 A:ASP202 3.5 0.0 1.0 N A:LEU184 3.5 0.4 1.0 CB A:ASP202 3.6 0.1 1.0 CA A:SER182 3.6 0.6 1.0 C A:GLY180 3.6 0.2 1.0 HA A:PRO181 3.6 0.0 1.0 CB A:LEU184 3.7 0.4 1.0 CB A:SER182 3.7 0.6 1.0 CA A:LEU184 3.7 0.4 1.0 CG A:ASP179 3.8 0.2 1.0 O A:PRO181 3.8 0.4 1.0 H A:ASP179 3.8 0.0 1.0 CA A:PRO181 3.9 0.4 1.0 C A:ASP179 4.0 0.2 1.0 HB2 A:SER182 4.0 0.0 1.0 HA A:LEU185 4.0 0.0 1.0 HB2 A:LEU184 4.1 0.0 1.0 N A:PRO181 4.2 0.4 1.0 HD22 A:LEU184 4.2 0.0 1.0 N A:LEU185 4.3 0.3 1.0 N A:GLY183 4.4 0.5 1.0 N A:ASP179 4.4 0.2 1.0 C A:GLY183 4.4 0.5 1.0 OE1 A:GLU205 4.5 0.4 1.0 OD2 A:ASP179 4.5 0.2 1.0 OD1 A:ASP202 4.5 0.1 1.0 CA A:ASP179 4.7 0.2 1.0 N A:GLY180 4.7 0.2 1.0 HA A:SER182 4.7 0.0 1.0 CA A:LEU185 4.7 0.3 1.0 HB2 A:ASP204 4.7 0.0 1.0 CB A:ASP179 4.8 0.2 1.0 CA A:GLY180 4.8 0.2 1.0 HA A:LEU184 4.8 0.0 1.0 CB A:GLU205 4.9 0.4 1.0 CA A:GLY183 4.9 0.5 1.0 O A:PRO177 4.9 0.5 1.0 HB2 A:LEU185 4.9 0.0 1.0 CG A:LEU184 5.0 0.4 1.0 CD2 A:LEU184 5.0 0.4 1.0

X.Zhang, N.C.Gonnella, J.Koehn, N.Pathak, V.Ganu, R.Melton, D.Parker, S.I.Hu, K.Y.Nam. Solution Structure of the Catalytic Domain of Human Collagenase-3 (Mmp-13) Complexed to A Potent Non-Peptidic Sulfonamide Inhibitor: Binding Comparison with Stromelysin-1 and Collagenase-1. J.Mol.Biol. V. 301 513 2000.
ISSN: ISSN 0022-2836
PubMed: 10926524
DOI: 10.1006/JMBI.2000.3988