Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03500 | Target Info | |||
| Target Name | Matrix metalloproteinase-12 (MMP-12) | ||||
| Synonyms | Macrophage metalloelastase; Macrophage elastase; MME; ME; HME | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MMP12 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | R-1,2-Propanediol | Ligand Info | |||
| Canonical SMILES | CC(CO)O | ||||
| InChI | 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1 | ||||
| InChIKey | DNIAPMSPPWPWGF-GSVOUGTGSA-N | ||||
| PubChem Compound ID | 259994 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7OVY Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain | ||||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | Yes | [1] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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| PDB ID: 4H84 Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor. | ||||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [2] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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| PDB ID: 4EFS Human MMP12 in complex with L-glutamate motif inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [3] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors. ACS Med Chem Lett. 2021 Oct 8;12(11):1787-1793. | ||||
| REF 2 | Crystallization of bi-functional ligand protein complexes. J Struct Biol. 2013 Jun;182(3):246-54. | ||||
| REF 3 | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins. J Biol Chem. 2012 Aug 3;287(32):26647-56. | ||||
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