MolNFT v1 · #148812 · protein
Daip in complex with a C-terminal fragment of thermolysin
6FHP · Dispase autolysis-inducing protein: “Daip in complex with a C-terminal fragment of thermolysin”. X-ray diffraction, 5 pockets (best druggability 0.88). MolNFT v1 #148812 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6FHP
- Type
- protein
- Length
- 805 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dispase autolysis-inducing protein; Thermolysin
- EC
- 3.4.24.27
- UniProt
- P84908, P43133
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dispase autolysis-inducing protein | protein | 342 | 1% helix, 46% strand | P84908 |
| C | Thermolysin (EC 3.4.24.27) | protein | 59 | 73% helix, 0% strand | P43133 |
| D | Thermolysin (EC 3.4.24.27) | protein | 62 | 68% helix, 0% strand | P43133 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 983 | 0.88 | 0.89 | 105 | empty |
| 2 | 566 | 0.84 | 0.89 | 62 | empty |
| 3 | 64 | 0.35 | 0.78 | 15 | empty |
| 4 | 51 | 0.29 | 0.76 | 14 | empty |
| 5 | 54 | 0.26 | 0.74 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–C · 743 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 710 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 561 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 352 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 293 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6FHP · DAIP in complex with a C-terminal fragment of thermolysin · the same entry in another collection · chain D against D, TM-score 1.00
- P84908 · AlphaFold monomer V2.0 prediction for dispase autolysis-inducing protein (P84908) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P43133 · AlphaFold monomer V2.0 prediction for thermolysin (P43133) · a predicted model of the same protein · chain D 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 P84908
- Every structure of UniProt P43133
- Elsewhere: RCSB PDB 6FHP · PDBe 6FHP · UniProt P84908 · UniProt P43133
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