MolNFT v1 · #185177 · protein
Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid- stable sulfotyrosine analogue
7PHX · Thrombin light chain: “Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid- stable sulfotyrosine analogue”. X-ray diffraction, 2 ligands (NAG, NA), 2 pockets (best druggability 0.45). MolNFT v1 #185177 on…
- PDB
- 7PHX
- Type
- protein
- Length
- 300 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thrombin light chain; Thrombin heavy chain; Tsetse thrombin inhibitor
- UniProt
- P00734, O97373
- Ligands
- NAG, NA
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Thrombin light chain | protein | 29 | 38% helix, 0% strand | P00734 |
| H | Thrombin heavy chain | protein | 247 | 14% helix, 36% strand | P00734 |
| I | Tsetse thrombin inhibitor | protein | 24 | 13% helix, 13% strand | O97373 |
Ligands and binding sites
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 | 103 | 0.45 | 0.79 | 21 | empty |
| 2 | 53 | 0.23 | 0.71 | 16 | empty |
Interfaces
3 interfaces between chains.
- H–I · 1607 Ų buried · 28 hydrogen bonds · protein-protein
- L–H · 1174 Ų buried · 33 hydrogen bonds · protein-protein
- L–I · 22 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 1 glycan, 1 modified (disulfide, N-glycosylation, nonstandard).
Compared structures
- 7PHX · Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable… · the same entry in another collection · chain L against L, TM-score 1.00
- O97373 · AlphaFold monomer V2.0 prediction for tsetse thrombin inhibitor (O97373) · a predicted model of the same protein · chain I against A, TM-score 0.21
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 O97373
- Elsewhere: RCSB PDB 7PHX · PDBe 7PHX · UniProt P00734 · UniProt O97373
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