MolNFT v1 · #90320 · protein
Human MMP12 in complex with L-glutamate motif inhibitor
4EFS · Macrophage metalloelastase: “Human MMP12 in complex with L-glutamate motif inhibitor”. X-ray diffraction, 3 ligands (E37, CA, ZN), 2 pockets (best druggability 0.57). MolNFT v1 #90320 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4EFS
- Type
- protein
- Length
- 159 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage metalloelastase
- EC
- 3.4.24.65
- UniProt
- P39900
- Ligands
- E37, CA, ZN
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage metalloelastase (EC 3.4.24.65) | protein | 159 | 26% helix, 17% strand | P39900 |
Ligands and binding sites
- E37 · N~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-L-alpha-glutamine · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- PGO · S-1,2-propanediol · additive · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains A
- PGR · R-1,2-propanediol · additive · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.57 | 0.84 | 23 | E37, PGO |
| 2 | 75 | 0.34 | 0.75 | 19 | GOL |
Compared structures
- 4EFS · Human MMP12 in complex with L-glutamate motif inhibitor · 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 4EFS · PDBe 4EFS · UniProt P39900
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