MolNFT v1 · #25423 · protein
Specifity for plasminogen activator inhibitor-1
1VR1 · Thrombin: “Specifity for plasminogen activator inhibitor-1”. X-ray diffraction, 2 pockets (best druggability 0.54). MolNFT v1 #25423 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1VR1
- Type
- protein
- Length
- 284 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thrombin; Hirudin
- EC
- 3.4.21.5
- UniProt
- P00734, P28504
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Thrombin (EC 3.4.21.5) | protein | 27 | 37% helix, 0% strand | P00734 |
| H | Thrombin (EC 3.4.21.5) | protein | 247 | 15% helix, 35% strand | P00734 |
| I | Hirudin | protein | 10 | 30% helix, 0% strand | P28504 |
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 | 269 | 0.54 | 0.76 | 38 | empty |
| 2 | 51 | 0.29 | 0.76 | 16 | empty |
Interfaces
2 interfaces between chains.
- L–H · 1109 Ų buried · 23 hydrogen bonds · protein-protein
- H–I · 633 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 modified (disulfide, sulfation).
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 P00734
- Every structure of UniProt P28504
- Elsewhere: RCSB PDB 1VR1 · PDBe 1VR1 · UniProt P00734 · UniProt P28504
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