MolNFT v1 · #70379 · protein
Human MMP12 in complex with non-zinc chelating inhibitor
3LIR · Macrophage metalloelastase: “Human MMP12 in complex with non-zinc chelating inhibitor”. X-ray diffraction, 4 ligands (EEC, GLY, CA), 2 pockets (best druggability 0.58). MolNFT v1 #70379 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3LIR
- 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
- EEC, GLY, CA, ZN
- Pockets
- 2 · best druggability 0.58
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
- EEC · N-[3-(3-phenylisoxazol-5-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamyl-amide · ligand · chains A
- GLY · Glycine · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · 2 copies · 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 | 135 | 0.58 | 0.84 | 24 | EEC, GLY |
| 2 | 90 | 0.36 | 0.75 | 21 | empty |
Compared structures
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 3LIR · PDBe 3LIR · UniProt P39900
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