Research workbench
Complex between latrunculin A:RABBIT muscle alpha ACTIN:HUMAN gelsolin domain 1
Analyse Complex between latrunculin A:RABBIT muscle alpha ACTIN:HUMAN gelsolin domain 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ESV
- Type
- protein
- Length
- 484 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gelsolin; Alpha actin
- UniProt
- P06396, P68135
- Ligands
- ATP, LAR, CA
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| S | Gelsolin | protein | 125 | 23% helix, 34% strand | P06396 |
| A | Alpha actin | protein | 359 | 40% helix, 21% strand | P68135 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- LAR · Latrunculin A · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains S, 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 | 422 | 0.72 | 0.83 | 51 | CA, ATP, LAR |
| 2 | 217 | 0.69 | 0.85 | 36 | empty |
| 3 | 159 | 0.43 | 0.74 | 19 | empty |
| 4 | 80 | 0.30 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- S–A · 1092 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 1ESV · Complex between latrunculin A:RABBIT muscle alpha ACTIN:HUMAN gelsolin domain 1 · 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 0.99
- P06396 · AlphaFold monomer V2.0 prediction for gelsolin (P06396) · a predicted model of the same protein · chain S against A, TM-score 0.95
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 P68135
- Elsewhere: RCSB PDB 1ESV · PDBe 1ESV · UniProt P06396 · UniProt P68135
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