Research workbench
Crystal structure of escherichia COLI flavin trafficking protein, an FMN transferase, E169K mutant
Analyse Crystal structure of escherichia COLI flavin trafficking protein, an FMN… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XGW
- Type
- protein
- Length
- 1,222 residues
- Chains
- 4
- 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
- CA, NA
- Pockets
- 15 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAD:PROTEIN FMN transferase (EC 2.7.1.180) | protein | 304 | 35% helix, 25% strand | P0AB85 |
| B | FAD:PROTEIN FMN transferase (EC 2.7.1.180) | protein | 308 | 35% helix, 28% strand | P0AB85 |
| C | FAD:PROTEIN FMN transferase (EC 2.7.1.180) | protein | 307 | 34% helix, 26% strand | P0AB85 |
| D | FAD:PROTEIN FMN transferase (EC 2.7.1.180) | protein | 303 | 35% helix, 25% strand | P0AB85 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
- NA · Sodium ion · metal · 3 copies · chains A, C, D
- EDO · 1,2-ethanediol · additive · 4 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1147 | 0.82 | 0.83 | 83 | empty |
| 2 | 1173 | 0.82 | 0.83 | 79 | empty |
| 3 | 619 | 0.70 | 0.78 | 48 | empty |
| 4 | 513 | 0.69 | 0.79 | 51 | empty |
| 5 | 581 | 0.67 | 0.77 | 66 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1613 Ų buried · 33 hydrogen bonds · protein-protein
- B–D · 1597 Ų buried · 34 hydrogen bonds · protein-protein
- B–C · 365 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 184 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 152 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4XGW · Crystal structure of Escherichia coli Flavin trafficking protein, an FMN transferase… · the same entry in another collection · chain D against D, TM-score 1.00
- P0AB85 · AlphaFold monomer V2.0 prediction for FAD:PROTEIN FMN transferase (P0AB85) · a predicted model of the same protein · chain D against A, TM-score 0.97
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 4XGW · PDBe 4XGW · UniProt P0AB85
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