MolNFT v1 · #24395 · protein
Crystal structure of mmp-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-YL)ETHYL-4-(4-ETHOXY[1,1-biphenyl]-4-yl)-4-oxobutanoic acid
1UTT · Macrophage metalloelastase: “Crystal structure of mmp-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H…”. X-ray diffraction, 4 ligands (HAE, CP8, CA), 1 pocket (best druggability 0.58). MolNFT v1 #24395 on GenesisL1: 3D structure…
- PDB
- 1UTT
- 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
- HAE, CP8, CA, ZN
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage metalloelastase (EC 3.4.24.65) | protein | 159 | 25% helix, 17% strand | P39900 |
Ligands and binding sites
- HAE · Acetohydroxamic acid · ligand · chains A
- CP8 · 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl) ethyl-4-(4'-ethoxy [1,1'-biphenyl]-4-yl)-4-oxobutanoic acid · ligand · chains A
- CA · Calcium ion · metal · 4 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
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 177 | 0.58 | 0.81 | 23 | HAE, CP8 |
Compared structures
- 1UTT · Crystal Structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4… · 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 1UTT · PDBe 1UTT · UniProt P39900
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