MolNFT v1 · #147781 · protein
Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168.
6ENM · Macrophage metalloelastase: “Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168.”. X-ray diffraction, 3 ligands (LPW, CA, ZN), 5 pockets (best druggability 0.63). MolNFT v1 #147781 on GenesisL1: 3D structure…
- PDB
- 6ENM
- Type
- protein
- Length
- 304 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage metalloelastase
- EC
- 3.4.24.65
- UniProt
- P39900
- Ligands
- LPW, CA, ZN
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Macrophage metalloelastase (EC 3.4.24.65) | protein | 152 | 26% helix, 18% strand | P39900 |
Ligands and binding sites
- LPW · 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 6 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.63 | 0.79 | 39 | empty |
| 2 | 168 | 0.56 | 0.81 | 25 | LPW, ZN |
| 3 | 161 | 0.55 | 0.80 | 24 | LPW, ZN |
| 4 | 78 | 0.34 | 0.75 | 20 | empty |
| 5 | 56 | 0.26 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 368 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6ENM · Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168. · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P39900
- Elsewhere: RCSB PDB 6ENM · PDBe 6ENM · UniProt P39900
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.