MolNFT v1 · #103877 · protein
Crystal structure of the escherichia COLI alkanesulfonate FMN reductase ssue in FMN-bound form
4PTZ: “Crystal structure of the escherichia COLI alkanesulfonate FMN reductase ssue in FMN-bound form”. X-ray diffraction, 2 ligands (FMN, PO4), 9 pockets (best druggability 0.81). MolNFT v1 #103877 on GenesisL1: 3D structure, binding…
- PDB
- 4PTZ
- Type
- protein
- Length
- 694 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FMN reductase ssue
- EC
- 1.5.1.38
- UniProt
- P80644
- Ligands
- FMN, PO4
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, D | FMN reductase ssue (EC 1.5.1.38) | protein | 174 | 45% helix, 24% strand | P80644 |
| A, B | FMN reductase ssue (EC 1.5.1.38) | protein | 173 | 45% helix, 24% strand | P80644 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 7 copies · chains C, A, B, D
- PO4 · Phosphate ion · ion · chains A
- GOL · Glycerol · additive · 8 copies · chains C, A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 605 | 0.81 | 0.86 | 47 | GOL |
| 2 | 187 | 0.54 | 0.79 | 24 | GOL |
| 3 | 180 | 0.52 | 0.78 | 24 | GOL |
| 4 | 141 | 0.44 | 0.76 | 27 | FMN |
| 5 | 132 | 0.44 | 0.76 | 33 | FMN |
Interfaces
3 interfaces between chains.
- A–B · 1121 Ų buried · 10 hydrogen bonds · protein-protein
- C–A · 750 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 675 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4PTZ · Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in FMN-bound… · the same entry in another collection · chain C against C, TM-score 1.00
- P80644 · AlphaFold monomer V2.0 prediction for FMN reductase (NADPH) (P80644) · a predicted model of the same protein · chain C 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 P80644
- Elsewhere: RCSB PDB 4PTZ · PDBe 4PTZ · UniProt P80644
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.