MolNFT v1 · #144352 · protein
Alfa filament bound to amppnp
6BQW · Bacterial actin alfa: “Alfa filament bound to amppnp”. Electron microscopy, 1 ligand (ANP), 20 pockets (best druggability 0.79). MolNFT v1 #144352 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BQW
- Type
- protein
- Length
- 2,475 residues
- Chains
- 9
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterial actin alfa
- UniProt
- O52947
- Ligands
- ANP
- Pockets
- 20 · best druggability 0.79
Structure
electron microscopy · 1 distinct chain · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I | Bacterial actin alfa | protein | 275 | 30% helix, 28% strand | O52947 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 9 copies · chains A, B, C, D, E, F, G, H, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 778 | 0.79 | 0.83 | 84 | empty |
| 2 | 394 | 0.71 | 0.82 | 50 | empty |
| 3 | 409 | 0.71 | 0.82 | 47 | empty |
| 4 | 419 | 0.70 | 0.82 | 48 | empty |
| 5 | 403 | 0.70 | 0.82 | 50 | empty |
Interfaces
15 interfaces between chains.
- D–E · 732 Ų buried · 9 hydrogen bonds · protein-protein
- A–E · 731 Ų buried · 9 hydrogen bonds · protein-protein
- H–I · 730 Ų buried · 9 hydrogen bonds · protein-protein
- G–H · 727 Ų buried · 9 hydrogen bonds · protein-protein
- A–F · 726 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6BQW · AlfA Filament bound to AMPPNP · the same entry in another collection · chain G against G, 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 O52947
- Elsewhere: RCSB PDB 6BQW · PDBe 6BQW · UniProt O52947
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