Calcium in PDB 1z3j: Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh)

All present enzymatic activity of Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh):
3.4.24.65;

The structure of Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) (pdb code 1z3j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh), PDB code: 1z3j:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh)


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 MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca266 b:0.0 occ:1.00 O A:GLU199 2.3 0.0 1.0 OE2 A:GLU199 2.3 0.0 1.0 OD2 A:ASP124 2.3 0.0 1.0 O A:GLU201 2.5 0.0 1.0 OD1 A:ASP124 2.5 0.0 1.0 CG A:ASP124 2.8 0.0 1.0 HG1 A:THR122 3.3 0.0 1.0 CD A:GLU199 3.4 0.0 1.0 C A:GLU199 3.4 0.0 1.0 HA A:PHE202 3.6 0.0 1.0 C A:GLU201 3.7 0.0 1.0 OG1 A:THR122 3.7 0.0 1.0 HD2 A:PRO123 3.9 0.0 1.0 HA A:GLU199 3.9 0.0 1.0 HD1 A:TRP203 4.0 0.0 1.0 OE1 A:GLU199 4.1 0.0 1.0 O A:ASP200 4.1 0.0 1.0 C A:ASP200 4.2 0.0 1.0 HA A:ASP200 4.2 0.0 1.0 HG2 A:GLU199 4.3 0.0 1.0 CA A:GLU199 4.3 0.0 1.0 CB A:ASP124 4.3 0.0 1.0 CG A:GLU199 4.3 0.0 1.0 H A:ASP124 4.4 0.0 1.0 N A:GLU201 4.4 0.0 1.0 N A:ASP200 4.4 0.0 1.0 H A:TRP203 4.4 0.0 1.0 N A:PHE202 4.5 0.0 1.0 CA A:PHE202 4.5 0.0 1.0 CA A:ASP200 4.5 0.0 1.0 HD2 A:PHE202 4.5 0.0 1.0 CA A:GLU201 4.7 0.0 1.0 HG2 A:PRO123 4.7 0.0 1.0 HB2 A:ASP124 4.7 0.0 1.0 HB3 A:ASP124 4.7 0.0 1.0 CB A:GLU199 4.8 0.0 1.0 H A:GLU201 4.8 0.0 1.0 CD A:PRO123 5.0 0.0 1.0 HB3 A:GLU199 5.0 0.0 1.0

Calcium binding site 2 out of 3 in the Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh)


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 MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca267 b:0.0 occ:1.00 OD1 A:ASP175 2.2 0.0 1.0 OE2 A:GLU201 2.2 0.0 1.0 OD1 A:ASP198 2.3 0.0 1.0 O A:ILE180 2.3 0.0 1.0 O A:GLY178 2.4 0.0 1.0 O A:GLY176 2.4 0.0 1.0 OD2 A:ASP198 2.4 0.0 1.0 CG A:ASP198 2.7 0.0 1.0 H A:GLY178 3.2 0.0 1.0 HD12 A:LEU181 3.3 0.0 1.0 CD A:GLU201 3.3 0.0 1.0 CG A:ASP175 3.4 0.0 1.0 C A:ILE180 3.5 0.0 1.0 C A:GLY178 3.6 0.0 1.0 HG3 A:GLU201 3.6 0.0 1.0 C A:GLY176 3.6 0.0 1.0 N A:GLY178 3.7 0.0 1.0 HA A:LEU181 3.8 0.0 1.0 H A:ASP175 3.8 0.0 1.0 CB A:ASP198 3.9 0.0 1.0 HB2 A:ASP198 4.0 0.0 1.0 OD2 A:ASP175 4.0 0.0 1.0 HB3 A:ASP198 4.0 0.0 1.0 CG A:GLU201 4.0 0.0 1.0 H A:ILE180 4.1 0.0 1.0 HB A:ILE180 4.2 0.0 1.0 N A:ILE180 4.2 0.0 1.0 CA A:GLY178 4.2 0.0 1.0 N A:GLY176 4.3 0.0 1.0 OE1 A:GLU201 4.3 0.0 1.0 HA A:LYS177 4.3 0.0 1.0 CD1 A:LEU181 4.3 0.0 1.0 C A:ASP175 4.4 0.0 1.0 H A:GLY176 4.4 0.0 1.0 HD1 A:PHE174 4.4 0.0 1.0 CA A:GLY176 4.4 0.0 1.0 CA A:ILE180 4.4 0.0 1.0 N A:LEU181 4.5 0.0 1.0 N A:ASP175 4.5 0.0 1.0 C A:LYS177 4.5 0.0 1.0 N A:LYS177 4.6 0.0 1.0 HA A:PHE174 4.6 0.0 1.0 N A:GLY179 4.6 0.0 1.0 CB A:ASP175 4.6 0.0 1.0 HD13 A:LEU181 4.6 0.0 1.0 CA A:LEU181 4.6 0.0 1.0 HA2 A:GLY176 4.6 0.0 1.0 C A:GLY179 4.7 0.0 1.0 HB2 A:GLU201 4.7 0.0 1.0 HA2 A:GLY178 4.7 0.0 1.0 HA3 A:GLY179 4.7 0.0 1.0 CA A:LYS177 4.7 0.0 1.0 O A:ASP175 4.7 0.0 1.0 CA A:ASP175 4.7 0.0 1.0 HD11 A:LEU181 4.8 0.0 1.0 HG2 A:GLU201 4.8 0.0 1.0 CA A:GLY179 4.9 0.0 1.0 CB A:ILE180 4.9 0.0 1.0 CB A:GLU201 5.0 0.0 1.0

Calcium binding site 3 out of 3 in the Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Solution Structure of MMP12 in the Presence of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca268 b:0.0 occ:1.00 OD1 A:ASP194 2.3 0.0 1.0 O A:GLY192 2.4 0.0 1.0 OD2 A:ASP194 2.6 0.0 1.0 O A:GLY190 2.6 0.0 1.0 CG A:ASP194 2.8 0.0 1.0 O A:ILE191 3.0 0.0 1.0 H A:ASP194 3.3 0.0 1.0 HA3 A:GLY193 3.5 0.0 1.0 C A:GLY192 3.5 0.0 1.0 C A:ILE191 3.6 0.0 1.0 HA A:ILE159 3.8 0.0 1.0 HA A:ILE191 3.8 0.0 1.0 C A:GLY190 3.8 0.0 1.0 N A:ASP194 3.9 0.0 1.0 CB A:ASP194 4.1 0.0 1.0 O A:ASP158 4.2 0.0 1.0 CA A:GLY193 4.2 0.0 1.0 N A:GLY193 4.2 0.0 1.0 CA A:ILE191 4.2 0.0 1.0 N A:GLY192 4.2 0.0 1.0 HB2 A:ASP194 4.4 0.0 1.0 C A:GLY193 4.4 0.0 1.0 CA A:GLY192 4.5 0.0 1.0 N A:ILE191 4.5 0.0 1.0 CA A:ASP194 4.5 0.0 1.0 HG22 A:ILE159 4.5 0.0 1.0 H A:LEU160 4.7 0.0 1.0 HA A:ASP194 4.8 0.0 1.0 CA A:ILE159 4.9 0.0 1.0 HB3 A:ASP194 4.9 0.0 1.0 H A:GLY192 4.9 0.0 1.0 HA2 A:GLY190 5.0 0.0 1.0 CA A:GLY190 5.0 0.0 1.0

I.Bertini, V.Calderone, M.Cosenza, M.Fragai, Y.M.Lee, C.Luchinat, S.Mangani, B.Terni, P.Turano. Conformational Variability of Matrix Metalloproteinases: Beyond A Single 3D Structure. Proc.Natl.Acad.Sci.Usa V. 102 5334 2005.
ISSN: ISSN 0027-8424
PubMed: 15809432
DOI: 10.1073/PNAS.0407106102