Research workbench
Thrombin inhibitor from triatoma pallidipennis
Analyse Thrombin inhibitor from triatoma pallidipennis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1AVG
- Type
- protein
- Length
- 442 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thrombin; Triabin
- EC
- 3.4.21.5
- UniProt
- P00735, Q27049
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 13% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Thrombin (EC 3.4.21.5) | protein | 41 | 29% helix, 0% strand | P00735 |
| H | Thrombin (EC 3.4.21.5) | protein | 259 | 13% helix, 33% strand | P00735 |
| I | Triabin | protein | 142 | 8% helix, 41% strand | Q27049 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 343 | 0.64 | 0.79 | 29 | empty |
| 2 | 213 | 0.53 | 0.77 | 38 | empty |
| 3 | 64 | 0.38 | 0.79 | 15 | empty |
Interfaces
2 interfaces between chains.
- L–H · 1732 Ų buried · 30 hydrogen bonds · protein-protein
- H–I · 730 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 1AVG · Thrombin inhibitor from triatoma pallidipennis · the same entry in another collection · chain L against L, TM-score 1.00
- P00735 · AlphaFold monomer V2.0 prediction for prothrombin (P00735) · a predicted model of the same protein · chain H against A, TM-score 0.97
- Q27049 · AlphaFold monomer V2.0 prediction for triabin (Q27049) · a predicted model of the same protein · chain I against A, TM-score 0.97
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 P00735
- Every structure of UniProt Q27049
- Elsewhere: RCSB PDB 1AVG · PDBe 1AVG · UniProt P00735 · UniProt Q27049
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