Calcium 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:

Zinc

(Zn)

50 atoms

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

Calcium 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 Calcium with other atoms in the Ca 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:Ca174 b:2.0 occ:1.00 OD2 A:ASP76 2.2 -0.7 1.0 O A:GLY77 2.3 -0.6 1.0 O A:GLY79 2.4 -0.6 1.0 O A:THR81 2.4 -0.6 1.0 OE1 A:GLU102 2.5 -0.6 1.0 OD1 A:ASP76 2.8 -0.6 1.0 CG A:ASP76 2.8 0.7 1.0 HD2 A:ASP76 3.1 0.5 1.0 OD1 A:ASP99 3.1 -0.6 1.0 H A:GLY79 3.3 0.4 1.0 HA A:LEU82 3.3 0.0 1.0 HG3 A:GLU102 3.4 0.0 1.0 C A:GLY77 3.4 0.6 1.0 C A:THR81 3.5 0.6 1.0 C A:GLY79 3.5 0.6 1.0 CD A:GLU102 3.5 0.7 1.0 H A:GLY77 3.5 0.4 1.0 N A:GLY79 3.6 -0.7 1.0 N A:GLY77 3.8 -0.7 1.0 HG2 A:GLU102 3.8 0.0 1.0 CG A:GLU102 3.8 0.1 1.0 HB3 A:ASN80 4.0 0.0 1.0 H A:ASP76 4.0 0.4 1.0 HB3 A:ASP99 4.1 0.0 1.0 CG A:ASP99 4.1 0.7 1.0 CA A:GLY79 4.1 0.4 1.0 CA A:GLY77 4.2 0.4 1.0 HA A:PRO78 4.2 0.0 1.0 CA A:LEU82 4.2 0.4 1.0 N A:LEU82 4.2 -0.7 1.0 HG A:LEU82 4.3 0.0 1.0 N A:THR81 4.3 -0.7 1.0 HB2 A:ASP99 4.3 0.0 1.0 CB A:ASP76 4.3 0.1 1.0 HD1 A:PHE75 4.3 0.1 1.0 C A:PRO78 4.4 0.6 1.0 N A:PRO78 4.4 -0.7 1.0 C A:ASN80 4.4 0.6 1.0 CB A:ASP99 4.5 0.1 1.0 CA A:THR81 4.5 0.4 1.0 C A:ASP76 4.5 0.6 1.0 HB A:THR81 4.6 0.0 1.0 CA A:PRO78 4.6 0.4 1.0 N A:ASN80 4.6 -0.7 1.0 HA2 A:GLY77 4.6 0.0 1.0 N A:ASP76 4.7 -0.7 1.0 OE2 A:GLU102 4.7 -0.7 1.0 HB2 A:ASP76 4.7 0.0 1.0 CA A:ASP76 4.8 0.4 1.0 HA3 A:GLY79 4.8 0.0 1.0 HE2 A:GLU102 4.8 0.5 1.0 CA A:ASN80 4.8 0.4 1.0 CB A:ASN80 4.9 0.1 1.0 O A:ASN80 4.9 -0.6 1.0 HA2 A:GLY79 4.9 0.0 1.0 HB3 A:ASP76 4.9 0.0 1.0 H A:THR81 4.9 0.4 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca175 b:2.0 occ:1.00 OD2 A:ASP95 2.2 -0.7 1.0 OD1 A:ASP95 2.3 -0.6 1.0 O A:GLY91 2.4 -0.6 1.0 O A:GLY93 2.4 -0.6 1.0 CG A:ASP95 2.5 0.7 1.0 O A:ASP59 2.5 -0.6 1.0 HA A:ASP59 3.1 0.0 1.0 HD2 A:ASP95 3.2 0.5 1.0 C A:ASP59 3.4 0.6 1.0 C A:GLY93 3.5 0.6 1.0 C A:GLY91 3.6 0.6 1.0 HH2 A:TRP10 3.6 0.1 1.0 O A:ALA58 3.7 -0.6 1.0 H A:MET61 3.7 0.4 1.0 O A:LEU92 3.7 -0.6 1.0 C A:LEU92 3.7 0.6 1.0 HA A:LEU92 3.8 0.0 1.0 N A:ASP95 3.8 -0.7 1.0 CA A:ASP59 3.8 0.4 1.0 CB A:ASP95 3.9 0.1 1.0 H A:ASP95 4.0 0.4 1.0 N A:GLY93 4.1 -0.7 1.0 CA A:LEU92 4.1 0.4 1.0 HA3 A:GLY94 4.2 0.0 1.0 HB2 A:ASP95 4.2 0.0 1.0 HA A:ILE60 4.2 0.0 1.0 CA A:ASP95 4.3 0.4 1.0 HA A:ASP95 4.3 0.0 1.0 N A:LEU92 4.3 -0.7 1.0 N A:ILE60 4.4 -0.7 1.0 C A:GLY94 4.4 0.6 1.0 N A:GLY94 4.4 -0.7 1.0 CA A:GLY93 4.4 0.4 1.0 CA A:GLY94 4.6 0.4 1.0 HB2 A:MET61 4.6 0.0 1.0 N A:MET61 4.6 -0.7 1.0 C A:ALA58 4.6 0.6 1.0 CH2 A:TRP10 4.6 -0.1 1.0 HG21 A:THR57 4.6 0.0 1.0 HB3 A:ASP95 4.6 0.0 1.0 H A:GLY93 4.7 0.4 1.0 HB3 A:MET61 4.7 0.0 1.0 N A:GLY91 4.7 -0.7 1.0 N A:ASP59 4.7 -0.7 1.0 CA A:GLY91 4.7 0.4 1.0 HB3 A:ASP59 4.8 0.0 1.0 CA A:ILE60 4.8 0.4 1.0 CB A:ASP59 4.9 0.1 1.0 HZ3 A:TRP10 5.0 0.1 1.0 HA3 A:GLY93 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.