Zinc in PDB 2ddy: Solution Structure of Matrilysin (Mmp-7) Complexed to Constraint Conformational Sulfonamide Inhibitor

All present enzymatic activity of Solution Structure of Matrilysin (Mmp-7) Complexed to Constraint Conformational Sulfonamide Inhibitor:
3.4.24.23;

The structure of Solution Structure of Matrilysin (Mmp-7) Complexed to Constraint Conformational Sulfonamide Inhibitor also contains other interesting chemical elements:

Calcium

(Ca)

50 atoms

The binding sites of Zinc atom in the Solution Structure of Matrilysin (Mmp-7) Complexed to Constraint Conformational Sulfonamide Inhibitor (pdb code 2ddy). 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 Matrilysin (Mmp-7) Complexed to Constraint Conformational Sulfonamide Inhibitor, PDB code: 2ddy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Solution Structure of Matrilysin (Mmp-7) Complexed to Constraint Conformational 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 Matrilysin (Mmp-7) Complexed to Constraint Conformational Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn176 b:2.0 occ:1.00 OD2 A:ASP71 1.9 -0.7 1.0 NE2 A:HIS84 2.1 -0.7 1.0 HE2 A:HIS84 2.2 0.5 1.0 HD1 A:HIS97 2.3 0.5 1.0 ND1 A:HIS97 2.3 -0.7 1.0 CG A:ASP71 2.5 0.7 1.0 NE2 A:HIS69 2.5 -0.7 1.0 HB3 A:ASP71 2.7 0.0 1.0 CE1 A:HIS69 2.7 0.7 1.0 HE2 A:HIS69 2.8 0.5 1.0 HE1 A:HIS69 2.8 0.1 1.0 HD2 A:ASP71 2.9 0.5 1.0 CB A:ASP71 3.0 0.1 1.0 HZ A:PHE86 3.0 0.1 1.0 CE1 A:HIS84 3.0 0.7 1.0 HB2 A:ASP71 3.1 0.0 1.0 HB2 A:HIS97 3.2 0.0 1.0 CD2 A:HIS84 3.2 0.2 1.0 HE1 A:HIS84 3.2 0.1 1.0 CG A:HIS97 3.3 0.2 1.0 CE1 A:HIS97 3.3 0.7 1.0 HB3 A:HIS97 3.4 0.0 1.0 OD1 A:ASP71 3.4 -0.6 1.0 HD2 A:HIS84 3.4 0.1 1.0 CB A:HIS97 3.5 0.2 1.0 HE1 A:HIS97 3.6 0.1 1.0 CD2 A:HIS69 3.6 0.2 1.0 O A:TYR73 3.8 -0.6 1.0 ND1 A:HIS69 3.8 -0.7 1.0 CZ A:PHE86 4.0 -0.1 1.0 H A:TYR73 4.0 0.4 1.0 HD2 A:HIS69 4.2 0.1 1.0 ND1 A:HIS84 4.2 -0.7 1.0 CG A:HIS69 4.3 0.2 1.0 CG A:HIS84 4.3 0.2 1.0 CD2 A:HIS97 4.4 0.2 1.0 NE2 A:HIS97 4.4 -0.7 1.0 CA A:ASP71 4.4 0.4 1.0 HE1 A:PHE86 4.4 0.1 1.0 HB2 A:TYR73 4.5 0.0 1.0 HD1 A:HIS69 4.6 0.5 1.0 CE1 A:PHE86 4.7 -0.1 1.0 N A:TYR73 4.7 -0.7 1.0 C A:TYR73 4.8 0.6 1.0 N A:SER72 4.8 -0.7 1.0 HE2 A:PHE75 4.9 0.1 1.0 CE2 A:PHE75 4.9 -0.1 1.0 C A:ASP71 4.9 0.6 1.0 HA A:ASP71 5.0 0.0 1.0 OG A:SER72 5.0 -0.7 1.0

Zinc binding site 2 out of 2 in the Solution Structure of Matrilysin (Mmp-7) Complexed to Constraint Conformational 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 Matrilysin (Mmp-7) Complexed to Constraint Conformational Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn177 b:2.0 occ:1.00 O15 A:MDW178 2.1 0.0 1.0 NE2 A:HIS124 2.2 -0.7 1.0 NE2 A:HIS130 2.2 -0.7 1.0 NE2 A:HIS120 2.2 -0.7 1.0 HE2 A:HIS120 2.3 0.5 1.0 HE2 A:HIS124 2.5 0.5 1.0 O17 A:MDW178 2.5 0.0 1.0 HE2 A:HIS130 2.7 0.5 1.0 CE1 A:HIS130 2.8 0.7 1.0 C14 A:MDW178 2.9 0.0 1.0 H39 A:MDW178 3.1 0.0 1.0 CD2 A:HIS124 3.1 0.2 1.0 CD2 A:HIS130 3.1 0.2 1.0 N16 A:MDW178 3.1 0.0 1.0 CE1 A:HIS124 3.1 0.7 1.0 HE1 A:HIS130 3.1 0.1 1.0 CD2 A:HIS120 3.2 0.2 1.0 CE1 A:HIS120 3.2 0.7 1.0 HD2 A:HIS124 3.3 0.1 1.0 HD2 A:HIS120 3.3 0.1 1.0 HG2 A:MET138 3.3 0.0 1.0 HE1 A:HIS124 3.6 0.1 1.0 HE1 A:HIS120 3.6 0.1 1.0 HD2 A:HIS130 3.6 0.1 1.0 ND1 A:HIS130 3.8 -0.7 1.0 CG A:HIS130 4.0 0.2 1.0 H38 A:MDW178 4.1 0.0 1.0 H33 A:MDW178 4.1 0.0 1.0 CG A:HIS124 4.2 0.2 1.0 ND1 A:HIS124 4.2 -0.7 1.0 HG3 A:MET138 4.2 0.0 1.0 CG A:MET138 4.3 0.2 1.0 CG A:HIS120 4.3 0.2 1.0 ND1 A:HIS120 4.4 -0.7 1.0 C8 A:MDW178 4.4 0.0 1.0 OE1 A:GLU121 4.5 -0.6 1.0 O A:MET138 4.5 -0.6 1.0 HD1 A:HIS130 4.7 0.5 1.0 N9 A:MDW178 4.9 0.0 1.0 HB3 A:MET138 4.9 0.0 1.0 H30 A:MDW178 4.9 0.0 1.0 C11 A:MDW178 5.0 0.0 1.0

X.H.Zheng, L.Ou, Q.Zhang, H.Wu. Solution Structure of Matrilysin (Mmp-7) Complexed to Constraint Conformational Sulfonamide Inhibitor To Be Published.