MolNFT v1 · #109916 · protein
Crystal structure of escherichia COLI flavin trafficking protein, an FMN transferase, Y60N mutant, ADP-inhibited
4XGX · FAD:PROTEIN FMN transferase: “Crystal structure of escherichia COLI flavin trafficking protein, an FMN transferase, Y60N mutant…”. X-ray diffraction, 3 ligands (ADP, MG, NO3), 7 pockets (best druggability 0.81). MolNFT v1 #109916 on…
- PDB
- 4XGX
- Type
- protein
- Length
- 583 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAD:PROTEIN FMN transferase
- EC
- 2.7.1.180
- UniProt
- P0AB85
- Ligands
- ADP, MG, NO3
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAD:PROTEIN FMN transferase (EC 2.7.1.180) | protein | 290 | 38% helix, 26% strand | P0AB85 |
| B | FAD:PROTEIN FMN transferase (EC 2.7.1.180) | protein | 293 | 37% helix, 26% strand | P0AB85 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- NO3 · Nitrate ion · ion · 9 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1165 | 0.81 | 0.83 | 73 | NO3, EDO |
| 2 | 355 | 0.71 | 0.84 | 40 | MG, ADP, NO3 |
| 3 | 301 | 0.67 | 0.83 | 38 | MG, ADP |
| 4 | 111 | 0.52 | 0.82 | 26 | empty |
| 5 | 73 | 0.40 | 0.79 | 16 | EDO |
Interfaces
1 interface between chains.
- A–B · 1577 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 4XGX · Crystal structure of Escherichia coli Flavin trafficking protein, an FMN transferase… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AB85 · AlphaFold monomer V2.0 prediction for FAD:PROTEIN FMN transferase (P0AB85) · a predicted model of the same protein · chain A 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 P0AB85
- Elsewhere: RCSB PDB 4XGX · PDBe 4XGX · UniProt P0AB85
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