MolNFT v1 · #21961 · protein
Substituted 2-naphthamidine inhibitors of urokinase
1SQT · Urokinase-type plasminogen activator: “Substituted 2-naphthamidine inhibitors of urokinase”. X-ray diffraction, 1 ligand (UI3), 2 pockets (best druggability 0.47). MolNFT v1 #21961 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1SQT
- Type
- protein
- Length
- 245 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Urokinase-type plasminogen activator
- EC
- 3.4.21.73
- UniProt
- P00749
- Ligands
- UI3
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Urokinase-type plasminogen activator (EC 3.4.21.73) | protein | 245 | 11% helix, 42% strand | P00749 |
Ligands and binding sites
- UI3 · 7-methoxy-8-[1-(methylsulfonyl)-1H-pyrazol-4-yl]naphthalene-2-carboximidamide · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.47 | 0.77 | 34 | UI3 |
| 2 | 72 | 0.33 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1SQT · Substituted 2-Naphthamidine Inhibitors of Urokinase · 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 P00749
- Elsewhere: RCSB PDB 1SQT · PDBe 1SQT · UniProt P00749
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