MolNFT v1 · #66542 · protein
The structure of a complex of recombinant hirudin and human alpha-thrombin
3HTC · Alpha-thrombin (small subunit): “The structure of a complex of recombinant hirudin and human alpha-thrombin”. X-ray diffraction, 3 pockets (best druggability 0.54). MolNFT v1 #66542 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3HTC
- Type
- protein
- Length
- 356 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-thrombin (small subunit); Alpha-thrombin (large subunit); Hirudin variant 2
- EC
- 3.4.21.5
- UniProt
- P00734, P09945
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 3 distinct chains · 0% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Alpha-thrombin (small subunit) (EC 3.4.21.5) | protein | 34 | 0% helix, 0% strand | P00734 |
| H | Alpha-thrombin (large subunit) (EC 3.4.21.5) | protein | 257 | 0% helix, 0% strand | P00734 |
| I | Hirudin variant 2 | protein | 65 | 0% helix, 0% strand | P09945 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 300 | 0.54 | 0.73 | 66 | empty |
| 2 | 125 | 0.40 | 0.73 | 30 | empty |
| 3 | 62 | 0.32 | 0.74 | 22 | empty |
Interfaces
2 interfaces between chains.
- H–I · 149 Ų buried · 0 hydrogen bonds · protein-protein
- L–H · 134 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3HTC · The structure of a complex of recombinant hirudin and human alpha-thrombin · the same entry in another collection · chain L against L, 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 P00734
- Every structure of UniProt P09945
- Elsewhere: RCSB PDB 3HTC · PDBe 3HTC · UniProt P00734 · UniProt P09945
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