MolNFT v1 · #98190 · protein
Covalent modification of transthyretin K15 by yielding the fluorescent conjugate (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl) benzamide
4L1S: “Covalent modification of transthyretin K15 by yielding the fluorescent conjugate…”. X-ray diffraction, 1 ligand (1W4), 1 pocket (best druggability 0.32). MolNFT v1 #98190 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4L1S
- Type
- protein
- Length
- 231 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin
- UniProt
- P02766
- Ligands
- 1W4
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transthyretin | protein | 116 | 7% helix, 53% strand | P02766 |
| B | Transthyretin | protein | 115 | 7% helix, 53% strand | P02766 |
Ligands and binding sites
- 1W4 · S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.32 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 931 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4L1S · Covalent modification of transthyretin K15 by yielding the fluorescent conjugate… · 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 4L1S · PDBe 4L1S · UniProt P02766
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