MolNFT v1 · #10005 · protein
Crystal structure of scytalone dehydratase F162A mutant in the unligated state
1IDP: “Crystal structure of scytalone dehydratase F162A mutant in the unligated state”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #10005 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1IDP
- Type
- protein
- Length
- 441 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Scytalone dehydratase
- EC
- 4.2.1.94
- UniProt
- P56221
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Scytalone dehydratase (EC 4.2.1.94) | protein | 147 | 26% helix, 51% strand | P56221 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 95 | 0.78 | 0.98 | 21 | empty |
| 2 | 279 | 0.62 | 0.79 | 24 | empty |
| 3 | 291 | 0.61 | 0.79 | 23 | empty |
| 4 | 265 | 0.60 | 0.79 | 27 | empty |
| 5 | 74 | 0.35 | 0.76 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1046 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1035 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1033 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1IDP · Crystal structure of scytalone dehydratase F162A mutant in the unligated state · the same entry in another collection · chain A against A, TM-score 1.00
- P56221 · AlphaFold monomer V2.0 prediction for scytalone dehydratase (P56221) · a predicted model of the same protein · chain A 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 P56221
- Elsewhere: RCSB PDB 1IDP · PDBe 1IDP · UniProt P56221
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