MolNFT v1 · #28174 · protein
BNI1P formin homology 2 domain complexed with ATP-actin
1Y64 · Actin, alpha skeletal muscle: “BNI1P formin homology 2 domain complexed with ATP-actin”. X-ray diffraction, 2 ligands (ATP, CA), 11 pockets (best druggability 0.70). MolNFT v1 #28174 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1Y64
- Type
- protein
- Length
- 768 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle; BNI1 protein
- UniProt
- P68135, P41832
- Ligands
- ATP, CA
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin, alpha skeletal muscle | protein | 357 | 36% helix, 17% strand | P68135 |
| B | BNI1 protein | protein | 411 | 60% helix, 1% strand | P41832 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 316 | 0.70 | 0.84 | 50 | CA, ATP |
| 2 | 338 | 0.68 | 0.82 | 55 | empty |
| 3 | 399 | 0.58 | 0.75 | 57 | empty |
| 4 | 332 | 0.57 | 0.76 | 44 | empty |
| 5 | 249 | 0.54 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1490 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 1Y64 · Bni1p Formin Homology 2 Domain complexed with ATP-actin · the same entry in another collection · chain A against A, TM-score 1.00
- P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P41832 · AlphaFold monomer V2.0 prediction for protein BNI1 (P41832) · a predicted model of the same protein · chain B against A, TM-score 0.87
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 P68135
- Every structure of UniProt P41832
- Elsewhere: RCSB PDB 1Y64 · PDBe 1Y64 · UniProt P68135 · UniProt P41832
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