Zinc 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:

Calcium

(Ca)

40 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc 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 Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn275 b:7.0 occ:1.00 ND1 A:HIS200 2.1 0.1 1.0 NE2 A:HIS187 2.1 0.2 1.0 NE2 A:HIS172 2.2 0.4 1.0 CE1 A:HIS187 2.9 0.2 1.0 CE1 A:HIS172 3.0 0.4 1.0 HB2 A:HIS200 3.0 0.0 1.0 CG A:HIS200 3.0 0.1 1.0 HE1 A:HIS187 3.0 0.0 1.0 HB3 A:HIS200 3.0 0.0 1.0 HE1 A:HIS172 3.1 0.0 1.0 CB A:HIS200 3.2 0.1 1.0 CE1 A:HIS200 3.2 0.1 1.0 CD2 A:HIS172 3.2 0.4 1.0 CD2 A:HIS187 3.3 0.2 1.0 HE1 A:HIS200 3.5 0.0 1.0 HD2 A:HIS172 3.6 0.0 1.0 HD2 A:HIS187 3.6 0.0 1.0 HA3 A:GLY168 3.9 0.0 1.0 HG3 A:PRO177 3.9 0.0 1.0 ND1 A:HIS172 4.1 0.4 1.0 ND1 A:HIS187 4.1 0.2 1.0 CD2 A:HIS200 4.2 0.1 1.0 CG A:HIS172 4.2 0.4 1.0 NE2 A:HIS200 4.3 0.1 1.0 HE1 A:TYR195 4.3 0.0 1.0 CG A:HIS187 4.3 0.2 1.0 HA2 A:GLY168 4.4 0.0 1.0 CA A:GLY168 4.6 0.2 1.0 HB3 A:ASP198 4.6 0.0 1.0 CA A:HIS200 4.7 0.1 1.0 H A:ILE169 4.7 0.0 1.0 H A:GLU171 4.8 0.0 1.0 CG A:PRO177 4.8 0.5 1.0 HG2 A:PRO177 4.9 0.0 1.0 HD1 A:HIS172 4.9 0.0 1.0 HD1 A:HIS187 5.0 0.0 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn276 b:10.1 occ:1.00 HO1 A:HAV1 1.7 0.0 1.0 O A:MET240 2.0 0.5 1.0 NE2 A:HIS222 2.2 0.2 1.0 NE2 A:HIS232 2.2 0.5 1.0 NE2 A:HIS226 2.2 0.2 1.0 O1 A:HAV1 2.6 0.0 1.0 HA A:MET240 2.6 0.0 1.0 O A:HAV1 2.7 0.0 1.0 C A:MET240 2.9 0.5 1.0 CD2 A:HIS226 3.0 0.2 1.0 CD2 A:HIS232 3.0 0.5 1.0 CE1 A:HIS232 3.1 0.5 1.0 CE1 A:HIS222 3.1 0.2 1.0 HD2 A:HIS226 3.2 0.0 1.0 CA A:MET240 3.2 0.5 1.0 CE1 A:HIS226 3.2 0.2 1.0 CD2 A:HIS222 3.2 0.2 1.0 HD2 A:HIS232 3.3 0.0 1.0 HE1 A:HIS222 3.3 0.0 1.0 HE1 A:HIS232 3.4 0.0 1.0 HD2 A:HIS222 3.5 0.0 1.0 HB3 A:MET240 3.5 0.0 1.0 N A:HAV1 3.5 0.0 1.0 C A:HAV1 3.5 0.0 1.0 HE1 A:HIS226 3.6 0.0 1.0 CB A:MET240 3.9 0.5 1.0 HB1 A:3MP2 4.0 0.0 1.0 CG A:HIS226 4.0 0.2 1.0 N A:PHE241 4.1 0.6 1.0 CG A:HIS232 4.1 0.5 1.0 ND1 A:HIS226 4.1 0.2 1.0 O A:PHE241 4.1 0.6 1.0 ND1 A:HIS232 4.1 0.5 1.0 ND1 A:HIS222 4.3 0.2 1.0 CG A:HIS222 4.4 0.2 1.0 HN A:HAV1 4.4 0.0 1.0 C A:PHE241 4.5 0.6 1.0 HB2 A:MET240 4.5 0.0 1.0 N A:MET240 4.5 0.5 1.0 HA A:PHE241 4.6 0.0 1.0 CA A:PHE241 4.6 0.6 1.0 HG22 A:HAV1 4.7 0.0 1.0 HD2 A:LYS234 4.7 0.0 1.0 O A:LEU239 4.8 0.4 1.0 H A:PHE241 4.8 0.0 1.0 HG21 A:HAV1 4.9 0.0 1.0 HA A:HIS232 5.0 0.0 1.0 HD2 A:3MP2 5.0 0.0 1.0 SD A:MET240 5.0 0.5 1.0 HD1 A:HIS226 5.0 0.0 1.0 CA A:HAV1 5.0 0.0 1.0 HD1 A:HIS232 5.0 0.0 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