Research workbench
Archaellum assembly ATPase flai bound to ADP
Analyse Archaellum assembly ATPase flai bound to ADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IHQ
- Type
- protein
- Length
- 1,535 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flai ATPase
- EC
- 3.6.1.4
- UniProt
- Q4J9L0
- Ligands
- ADP, MG, PO4
- Pockets
- 17 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Flai ATPase (EC 3.6.1.4) | protein | 512 | 36% helix, 25% strand | Q4J9L0 |
| C | Flai ATPase (EC 3.6.1.4) | protein | 511 | 36% helix, 24% strand | Q4J9L0 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
- PO4 · Phosphate ion · ion · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1119 | 0.84 | 0.86 | 111 | ADP, MG, EDO |
| 2 | 1170 | 0.78 | 0.80 | 96 | ADP, MG, PO4 |
| 3 | 850 | 0.73 | 0.78 | 90 | ADP, MG |
| 4 | 379 | 0.59 | 0.76 | 55 | empty |
| 5 | 70 | 0.57 | 0.88 | 13 | empty |
Interfaces
2 interfaces between chains.
- B–C · 2167 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1732 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 4IHQ · Archaellum Assembly ATPase FlaI bound to ADP · 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 Q4J9L0
- Elsewhere: RCSB PDB 4IHQ · PDBe 4IHQ · UniProt Q4J9L0
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