MolNFT v1 · #161023 · protein
Crystal structure of oxidized iodotyrosine deiodinase (iyd) bound to FMN and 3-fluoro-L-tyrosine
6Q1B: “Crystal structure of oxidized iodotyrosine deiodinase (iyd) bound to FMN and 3-fluoro-L-tyrosine”. X-ray diffraction, 3 ligands (FMN, YOF, CL), 2 pockets (best druggability 0.78). MolNFT v1 #161023 on GenesisL1: 3D structure…
- PDB
- 6Q1B
- Type
- protein
- Length
- 369 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iodotyrosine deiodinase
- EC
- 1.21.1.1
- UniProt
- B9K712
- Ligands
- FMN, YOF, CL
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iodotyrosine deiodinase (EC 1.21.1.1) | protein | 185 | 43% helix, 17% strand | B9K712 |
| B | Iodotyrosine deiodinase (EC 1.21.1.1) | protein | 184 | 44% helix, 17% strand | B9K712 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- YOF · 3-fluorotyrosine · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 5 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 331 | 0.78 | 0.88 | 43 | FMN, YOF, CL |
| 2 | 324 | 0.78 | 0.89 | 46 | YOF, FMN, CL |
Interfaces
1 interface between chains.
- A–B · 3285 Ų buried · 54 hydrogen bonds · protein-protein
Compared structures
- 6Q1B · Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and… · 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 B9K712
- Elsewhere: RCSB PDB 6Q1B · PDBe 6Q1B · UniProt B9K712
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