MolNFT v1 · #22401 · protein
Structural basis of actin sequestration by thymosin-B4: implications for ARP2/3 activation
1T44 · Chimera of gelsolin domain 1 and C-terminal domain of…: “Structural basis of actin sequestration by thymosin-B4: implications for ARP2/3 activation”. X-ray diffraction, 2 ligands (ATP, CA), 4 pockets (best druggability 0.79). MolNFT…
- PDB
- 1T44
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chimera of gelsolin domain 1 and C-terminal domain of thymosin beta-4; Actin, alpha
- UniProt
- P06396, P20065, P02568
- Ligands
- ATP, CA
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G | Chimera of gelsolin domain 1 and C-terminal domain of thymosin beta-4 | protein | 144 | 26% helix, 31% strand | P06396, P20065 |
| A | Actin, alpha | protein | 358 | 46% helix, 20% strand | P02568 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains G, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 376 | 0.79 | 0.89 | 52 | CA, ATP |
| 2 | 232 | 0.62 | 0.81 | 36 | empty |
| 3 | 149 | 0.46 | 0.77 | 19 | empty |
| 4 | 88 | 0.34 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- G–A · 2102 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 1T44 · Structural basis of actin sequestration by thymosin-B4: Implications for arp2/3 activation · the same entry in another collection · chain G against G, TM-score 1.00
- P06396 · AlphaFold monomer V2.0 prediction for gelsolin (P06396) · a predicted model of the same protein · chain G against A, TM-score 0.81
- P20065 · AlphaFold monomer V2.0 prediction for thymosin beta-4 (P20065) · a predicted model of the same protein · chain G against A, TM-score 0.15
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 P06396
- Every structure of UniProt P20065
- Every structure of UniProt P02568
- Elsewhere: RCSB PDB 1T44 · PDBe 1T44 · UniProt P06396 · UniProt P20065 · UniProt P02568
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