MolNFT v1 · #58377 · protein
Crystal structure of the cytoplasmic domain of flhb from aquifex aeolicus
3B1S · Flagellar biosynthetic protein flhb: “Crystal structure of the cytoplasmic domain of flhb from aquifex aeolicus”. X-ray diffraction, 2 pockets (best druggability 0.39). MolNFT v1 #58377 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3B1S
- Type
- protein
- Length
- 346 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flagellar biosynthetic protein flhb
- UniProt
- O67813
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | Flagellar biosynthetic protein flhb | protein | 32 | 72% helix, 13% strand | O67813 |
| B | Flagellar biosynthetic protein flhb | protein | 85 | 47% helix, 20% strand | O67813 |
| D | Flagellar biosynthetic protein flhb | protein | 84 | 39% helix, 20% strand | O67813 |
| F | Flagellar biosynthetic protein flhb | protein | 81 | 49% helix, 21% strand | O67813 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.39 | 0.73 | 20 | empty |
| 2 | 131 | 0.38 | 0.73 | 18 | empty |
Interfaces
5 interfaces between chains.
- E–F · 1101 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1088 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1078 Ų buried · 13 hydrogen bonds · protein-protein
- E–B · 634 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 74 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3B1S · Crystal structure of the cytoplasmic domain of FlhB from Aquifex aeolicus · the same entry in another collection · chain F against F, TM-score 1.00
- O67813 · AlphaFold monomer V2.0 prediction for flagellar biosynthetic protein flhb (O67813) · a predicted model of the same protein · chain F against A, TM-score 0.96
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 O67813
- Elsewhere: RCSB PDB 3B1S · PDBe 3B1S · UniProt O67813
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