MolNFT v1 · #81015 · protein
Ecp-cleaved actin in complex with spir domain D
3UE5 · Actin, alpha skeletal muscle: “Ecp-cleaved actin in complex with spir domain D”. X-ray diffraction, 3 ligands (ATP, CA, CL), 2 pockets (best druggability 0.75). MolNFT v1 #81015 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3UE5
- Type
- protein
- Length
- 389 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle; Protein spire
- UniProt
- P68135, Q9U1K1
- Ligands
- ATP, CA, CL
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin, alpha skeletal muscle | protein | 364 | 43% helix, 21% strand | P68135 |
| B | Protein spire | protein | 25 | 44% helix, 4% strand | Q9U1K1 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 372 | 0.75 | 0.86 | 50 | CA, ATP |
| 2 | 175 | 0.57 | 0.81 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 854 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3UE5 · ECP-cleaved Actin in complex with Spir domain D · 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
- Q9U1K1 · AlphaFold monomer V2.0 prediction for protein spire (Q9U1K1) · a predicted model of the same protein · chain B against A, TM-score 0.51
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 Q9U1K1
- Elsewhere: RCSB PDB 3UE5 · PDBe 3UE5 · UniProt P68135 · UniProt Q9U1K1
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