MolNFT v1 · #78782 · protein
Crystal structure of a chimera containing the N-terminal domain (residues 8-29) of drosophila ciboulot and the C-terminal domain (residues 18-44) of bovine thymosin-BETA4, bound to G-actin-ATP- latrunculin a
3SJH · Actin, alpha skeletal muscle: “Crystal structure of a chimera containing the N-terminal domain (residues 8-29) of drosophila ciboulot and…”. X-ray diffraction, 3 ligands (ATP, LAR, MG), 2 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 3SJH
- Type
- protein
- Length
- 379 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle; CIBOULOT/THYMOSIN beta-4 chimeric protein
- UniProt
- P68135, O97428, P62326
- Ligands
- ATP, LAR, MG
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin, alpha skeletal muscle | protein | 357 | 45% helix, 21% strand | P68135 |
| B | CIBOULOT/THYMOSIN beta-4 chimeric protein | protein | 22 | 68% helix, 5% strand | O97428, P62326 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- LAR · Latrunculin A · ligand · chains A
- MG · Magnesium ion · metal · chains A
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 | 403 | 0.73 | 0.84 | 52 | ATP, MG, LAR |
| 2 | 242 | 0.57 | 0.78 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 880 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3SJH · Crystal Structure of a chimera containing the N-terminal domain (residues 8-29) of… · 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 0.98
- P62326 · AlphaFold monomer V2.0 prediction for thymosin beta-4 (P62326) · 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 O97428
- Every structure of UniProt P62326
- Elsewhere: RCSB PDB 3SJH · PDBe 3SJH · UniProt P68135 · UniProt O97428 · UniProt P62326
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