MolNFT v1 · #106808 · protein
Human transthyretin (ttr) complexed with (R)-3-(9H-fluoren-9- ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide in a dual binding mode
4TQP: “Human transthyretin (ttr) complexed with (R)-3-(9H-fluoren-9- ylideneaminooxy)-2-methyl-N-(methylsulfonyl)…”. X-ray diffraction, 1 ligand (48R), 2 pockets (best druggability 0.35). MolNFT v1 #106808 on GenesisL1: 3D structure…
- PDB
- 4TQP
- Type
- protein
- Length
- 232 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin
- UniProt
- P02766
- Ligands
- 48R
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transthyretin | protein | 116 | 6% helix, 51% strand | P02766 |
Ligands and binding sites
- 48R · (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 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 | 75 | 0.35 | 0.76 | 15 | empty |
| 2 | 61 | 0.31 | 0.75 | 14 | GOL |
Interfaces
1 interface between chains.
- A–B · 944 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4TQP · Human transthyretin (TTR) complexed with (R)-3-(9H-fluoren-9-ylideneaminooxy)-2-methyl-N-(… · the same entry in another collection · chain A against A, TM-score 1.00
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 P02766
- Elsewhere: RCSB PDB 4TQP · PDBe 4TQP · UniProt P02766
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