MolNFT v1 · #135278 · protein
Archaellum periplasmic stator protein complex flaf and flag from sulfolobus acidocaldarius
5TUG · Flagellar biosynthesis protein flag: “Archaellum periplasmic stator protein complex flaf and flag from sulfolobus acidocaldarius”. X-ray diffraction, 5 pockets (best druggability 0.46). MolNFT v1 #135278 on GenesisL1: 3D structure…
- PDB
- 5TUG
- Type
- protein
- Length
- 490 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flagellar biosynthesis protein flag; Flagellar biosynthesis protein flaf
- UniProt
- A0A0U2VTR0, A0A0U3GEN4
- Pockets
- 5 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Flagellar biosynthesis protein flag | protein | 115 | 3% helix, 46% strand | A0A0U2VTR0 |
| B, D | Flagellar biosynthesis protein flaf | protein | 130 | 12% helix, 51% strand | A0A0U3GEN4 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B, D, C
- IMD · Imidazole · additive · 4 copies · chains B, D
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.46 | 0.77 | 27 | empty |
| 2 | 67 | 0.39 | 0.79 | 14 | EDO, IMD |
| 3 | 63 | 0.30 | 0.74 | 15 | EDO |
| 4 | 58 | 0.29 | 0.74 | 15 | EDO |
| 5 | 75 | 0.29 | 0.72 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 831 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 294 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 231 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5TUG · Archaellum periplasmic stator protein complex FlaF and FlaG from Sulfolobus acidocaldarius · 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 A0A0U2VTR0
- Every structure of UniProt A0A0U3GEN4
- Elsewhere: RCSB PDB 5TUG · PDBe 5TUG · UniProt A0A0U2VTR0 · UniProt A0A0U3GEN4
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