MolNFT v1 · #124745 · protein
Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (iyd) bound to FMN and mono-iodotyrosine (I-tyr)
5KO8 · Nitroreductase: “Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (iyd) bound to FMN and…”. X-ray diffraction, 2 ligands (FMN, IYR), 2 pockets (best druggability 0.73). MolNFT v1 #124745 on GenesisL1: 3D…
- PDB
- 5KO8
- Type
- protein
- Length
- 433 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitroreductase
- UniProt
- F4KU78
- Ligands
- FMN, IYR
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitroreductase | protein | 215 | 42% helix, 16% strand | F4KU78 |
| B | Nitroreductase | protein | 218 | 42% helix, 16% strand | F4KU78 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- IYR · 3-iodo-tyrosine · ligand · 2 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 914 | 0.73 | 0.77 | 100 | FMN, IYR |
| 2 | 128 | 0.47 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 577 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5KO8 · Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to… · 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 F4KU78
- Elsewhere: RCSB PDB 5KO8 · PDBe 5KO8 · UniProt F4KU78
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