MolNFT v1 · #4701 · protein
Crystal structure of human transthyretin in complex with O- trifluoromethylphenyl anthranilic acid
1DVZ: “Crystal structure of human transthyretin in complex with O- trifluoromethylphenyl anthranilic acid”. X-ray diffraction, 1 ligand (OFL), 2 pockets (best druggability 0.32). MolNFT v1 #4701 on GenesisL1: 3D structure, binding sites…
- PDB
- 1DVZ
- Type
- protein
- Length
- 229 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin
- UniProt
- P02766
- Ligands
- OFL
- Pockets
- 2 · best druggability 0.32
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transthyretin | protein | 115 | 6% helix, 53% strand | P02766 |
| B | Transthyretin | protein | 114 | 6% helix, 52% strand | P02766 |
Ligands and binding sites
- OFL · O-trifluoromethylphenyl anthranilic acid · ligand · chains A
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 | 73 | 0.32 | 0.75 | 15 | empty |
| 2 | 71 | 0.30 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 921 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 1DVZ · Crystal structure of human transthyretin in complex with O-trifluoromethylphenyl… · 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 1DVZ · PDBe 1DVZ · UniProt P02766
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