MolNFT v1 · #186666 · protein
WALLABY TTR
7RLK · Transthyretin: “WALLABY TTR”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.74). MolNFT v1 #186666 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RLK
- Type
- protein
- Length
- 690 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin
- UniProt
- P42204
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, F | Transthyretin | protein | 115 | 5% helix, 50% strand | P42204 |
| B | Transthyretin | protein | 113 | 5% helix, 51% strand | P42204 |
| D | Transthyretin | protein | 117 | 5% helix, 52% strand | P42204 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.74 | 0.84 | 66 | empty |
| 2 | 966 | 0.69 | 0.74 | 73 | ZN |
| 3 | 279 | 0.65 | 0.82 | 35 | empty |
| 4 | 108 | 0.41 | 0.77 | 18 | empty |
| 5 | 112 | 0.38 | 0.75 | 19 | empty |
Interfaces
9 interfaces between chains.
- C–D · 923 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 921 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 907 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 436 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 431 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
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 P42204
- Elsewhere: RCSB PDB 7RLK · PDBe 7RLK · UniProt P42204
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