Research workbench
Crystal structure of the bacterial LUCIFERASE:FLAVIN complex reveals the basis of intersubunit communication
Analyse Crystal structure of the bacterial LUCIFERASE:FLAVIN complex reveals the basis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FGC
- Type
- protein
- Length
- 1,340 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkanal monooxygenase alpha chain; Alkanal monooxygenase beta chain
- EC
- 1.14.14.3
- UniProt
- P07740, P07739
- Ligands
- FMN, SO4, PO4
- Pockets
- 19 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkanal monooxygenase alpha chain (EC 1.14.14.3) | protein | 349 | 49% helix, 15% strand | P07740 |
| B | Alkanal monooxygenase beta chain (EC 1.14.14.3) | protein | 318 | 48% helix, 17% strand | P07739 |
| C | Alkanal monooxygenase alpha chain (EC 1.14.14.3) | protein | 348 | 45% helix, 18% strand | P07740 |
| D | Alkanal monooxygenase beta chain (EC 1.14.14.3) | protein | 325 | 49% helix, 18% strand | P07739 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 16 copies · chains A, B, D, C
- PO4 · Phosphate ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 195 | 0.81 | 0.95 | 48 | empty |
| 2 | 160 | 0.80 | 0.96 | 43 | empty |
| 3 | 1107 | 0.79 | 0.81 | 86 | SO4 |
| 4 | 519 | 0.79 | 0.85 | 44 | FMN, PO4 |
| 5 | 342 | 0.77 | 0.87 | 40 | PO4 |
Interfaces
4 interfaces between chains.
- C–D · 2425 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 2415 Ų buried · 33 hydrogen bonds · protein-protein
- A–D · 561 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 38 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3FGC · Crystal Structure of the Bacterial Luciferase:Flavin Complex Reveals the Basis of… · the same entry in another collection · chain D against D, TM-score 1.00
- P07739 · AlphaFold monomer V2.0 prediction for alkanal monooxygenase beta chain (P07739) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P07740 · AlphaFold monomer V2.0 prediction for alkanal monooxygenase alpha chain (P07740) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P07740
- Every structure of UniProt P07739
- Elsewhere: RCSB PDB 3FGC · PDBe 3FGC · UniProt P07740 · UniProt P07739
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