Research workbench
Complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
Analyse Complex of the second kunitz domain of tissue factor pathway inhibitor with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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