MolNFT v1 · #22276 · protein
YLR011WP, a saccharomyces cerevisiae NA(D)PH-dependent FMN reductase
1T0I: “YLR011WP, a saccharomyces cerevisiae NA(D)PH-dependent FMN reductase”. X-ray diffraction, 2 ligands (FMN, CA), 2 pockets (best druggability 0.75). MolNFT v1 #22276 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1T0I
- Type
- protein
- Length
- 362 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- YLR011WP
- UniProt
- Q07923
- Ligands
- FMN, CA
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | YLR011WP | protein | 185 | 39% helix, 20% strand | Q07923 |
| B | YLR011WP | protein | 177 | 41% helix, 20% strand | Q07923 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A
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 | 420 | 0.75 | 0.85 | 51 | FMN |
| 2 | 401 | 0.73 | 0.84 | 52 | FMN |
Interfaces
1 interface between chains.
- A–B · 1397 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1T0I · YLR011wp, a Saccharomyces cerevisiae NA(D)PH-dependent FMN reductase · the same entry in another collection · chain A against A, TM-score 1.00
- Q07923 · AlphaFold monomer V2.0 prediction for NAD(P)H-dependent FMN reductase LOT6 (Q07923) · a predicted model of the same protein · chain B 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 Q07923
- Elsewhere: RCSB PDB 1T0I · PDBe 1T0I · UniProt Q07923
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