MolNFT v1 · #21265 · protein
Crystal structure of flavin binding to FAD synthetase from thermotoga maritina
1S4M · Riboflavin KINASE/FMN adenylyltransferase: “Crystal structure of flavin binding to FAD synthetase from thermotoga maritina”. X-ray diffraction, 2 ligands (LUM, MG), 10 pockets (best druggability 0.86). MolNFT v1 #21265 on GenesisL1…
- PDB
- 1S4M
- Type
- protein
- Length
- 549 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Riboflavin KINASE/FMN adenylyltransferase
- UniProt
- Q9WZW1
- Ligands
- LUM, MG
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Riboflavin KINASE/FMN adenylyltransferase | protein | 277 | 32% helix, 29% strand | Q9WZW1 |
| B | Riboflavin KINASE/FMN adenylyltransferase | protein | 272 | 33% helix, 29% strand | Q9WZW1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 947 | 0.86 | 0.88 | 84 | empty |
| 2 | 400 | 0.69 | 0.81 | 39 | empty |
| 3 | 182 | 0.53 | 0.79 | 26 | LUM |
| 4 | 101 | 0.51 | 0.82 | 23 | empty |
| 5 | 198 | 0.49 | 0.76 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 987 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 1S4M · Crystal structure of flavin binding to FAD synthetase from Thermotoga maritina · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9WZW1
- Elsewhere: RCSB PDB 1S4M · PDBe 1S4M · UniProt Q9WZW1
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