MolNFT v1 · #22777 · protein
Complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
1TFX: “Complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.28). MolNFT v1 #22777 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1TFX
- Type
- protein
- Length
- 562 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin; Tissue factor pathway inhibitor
- EC
- 3.4.21.4
- UniProt
- P00761, P10646
- Ligands
- CA
- Pockets
- 2 · best druggability 0.28
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 35% strand | P00761 |
| C, D | Tissue factor pathway inhibitor | protein | 58 | 24% helix, 28% strand | P10646 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
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 | 58 | 0.28 | 0.74 | 19 | empty |
| 2 | 54 | 0.26 | 0.74 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–C · 691 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 683 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 84 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide (disulfide).
Compared structures
- 1TFX · Complex of the second kunitz domain of tissue factor pathway inhibitor with porcine… · the same entry in another collection · chain A against A, TM-score 1.00
- P00761 · AlphaFold monomer V2.0 prediction for trypsin (P00761) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P10646 · AlphaFold monomer V2.0 prediction for tissue factor pathway inhibitor (P10646) · a predicted model of the same protein · chain C against A, TM-score 0.96
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 P00761
- Every structure of UniProt P10646
- Elsewhere: RCSB PDB 1TFX · PDBe 1TFX · UniProt P00761 · UniProt P10646
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