MolNFT v1 · #106890 · protein
Crystal structure of homo sapiens iodotyrosine deiodinase (iyd) bound to FMN
4TTB · Iodotyrosine dehalogenase 1: “Crystal structure of homo sapiens iodotyrosine deiodinase (iyd) bound to FMN”. X-ray diffraction, 1 ligand (FMN), 3 pockets (best druggability 0.60). MolNFT v1 #106890 on GenesisL1: 3D structure…
- PDB
- 4TTB
- Type
- protein
- Length
- 378 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iodotyrosine dehalogenase 1
- EC
- 1.22.1.1
- UniProt
- Q6PHW0
- Ligands
- FMN
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Iodotyrosine dehalogenase 1 (EC 1.22.1.1) | protein | 189 | 41% helix, 21% strand | Q6PHW0 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 274 | 0.60 | 0.79 | 43 | FMN |
| 2 | 305 | 0.60 | 0.78 | 50 | FMN |
| 3 | 73 | 0.32 | 0.74 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 4276 Ų buried · 48 hydrogen bonds · protein-protein
Compared structures
- 4TTB · Crystal structure of homo sapiens IODOTYROSINE DEIODINASE (IYD) bound to FMN · the same entry in another collection · chain A against A, TM-score 1.00
- Q6PHW0 · AlphaFold monomer V2.0 prediction for iodotyrosine deiodinase 1 (Q6PHW0) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q6PHW0
- Elsewhere: RCSB PDB 4TTB · PDBe 4TTB · UniProt Q6PHW0
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