MolNFT v1 · #27022 · protein
Crystal structure of a NAD(P)H-dependent FMN reductase complexed with FMN
1X77 · Conserved hypothetical protein: “Crystal structure of a NAD(P)H-dependent FMN reductase complexed with FMN”. X-ray diffraction, 1 ligand (FMN), 3 pockets (best druggability 0.53). MolNFT v1 #27022 on GenesisL1: 3D structure, binding…
- PDB
- 1X77
- Type
- protein
- Length
- 348 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved hypothetical protein
- UniProt
- Q9I4D4
- Ligands
- FMN
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Conserved hypothetical protein | protein | 174 | 40% helix, 21% strand | Q9I4D4 |
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 | 201 | 0.53 | 0.78 | 25 | FMN |
| 2 | 215 | 0.52 | 0.77 | 25 | FMN |
| 3 | 52 | 0.31 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1306 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1X77 · Crystal structure of a NAD(P)H-dependent FMN reductase complexed with FMN · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I4D4 · AlphaFold monomer V2.0 prediction for NAD(P)H-dependent FMN reductase PA1204 (Q9I4D4) · a predicted model of the same protein · chain B 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 Q9I4D4
- Elsewhere: RCSB PDB 1X77 · PDBe 1X77 · UniProt Q9I4D4
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