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Crystal structure of homo sapiens iodotyrosine deiodinase bound to FMN and mono-iodotyrosine (mit)
Analyse Crystal structure of homo sapiens iodotyrosine deiodinase bound to FMN and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4TTC
- Type
- protein
- Length
- 1,320 residues
- Chains
- 6
- 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, IYR
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Iodotyrosine dehalogenase 1 (EC 1.22.1.1) | protein | 220 | 42% helix, 22% strand | Q6PHW0 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 6 copies · chains A, B, C, D, E, F
- IYR · 3-iodo-tyrosine · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 308 | 0.84 | 0.94 | 44 | FMN, IYR |
| 2 | 311 | 0.83 | 0.93 | 45 | FMN, IYR |
| 3 | 321 | 0.83 | 0.93 | 45 | FMN, IYR |
| 4 | 347 | 0.82 | 0.91 | 52 | FMN, IYR |
| 5 | 389 | 0.81 | 0.90 | 61 | FMN, IYR |
Interfaces
10 interfaces between chains.
- C–D · 5174 Ų buried · 55 hydrogen bonds · protein-protein
- A–B · 5131 Ų buried · 54 hydrogen bonds · protein-protein
- E–F · 5102 Ų buried · 53 hydrogen bonds · protein-protein
- A–D · 338 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 177 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4TTC · Crystal structure of homo sapiens IODOTYROSINE DEIODINASE bound to FMN and… · the same entry in another collection · chain F against F, TM-score 1.00
- Q6PHW0 · AlphaFold monomer V2.0 prediction for iodotyrosine deiodinase 1 (Q6PHW0) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 4TTC · PDBe 4TTC · UniProt Q6PHW0
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