MolNFT v1 · #5729 · protein
Complex between rabbit muscle alpha-actin: human gelsolin domain 1
1EQY: “Complex between rabbit muscle alpha-actin: human gelsolin domain 1”. X-ray diffraction, 2 ligands (ATP, CA), 4 pockets (best druggability 0.73). MolNFT v1 #5729 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1EQY
- Type
- protein
- Length
- 485 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gelsolin; Alpha actin
- UniProt
- P06396, P68135
- Ligands
- ATP, CA
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| S | Gelsolin | protein | 125 | 25% helix, 32% strand | P06396 |
| A | Alpha actin | protein | 360 | 44% helix, 21% strand | P68135 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · 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 | 435 | 0.73 | 0.83 | 53 | CA, ATP |
| 2 | 192 | 0.69 | 0.87 | 37 | empty |
| 3 | 131 | 0.41 | 0.75 | 20 | empty |
| 4 | 80 | 0.32 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- S–A · 1128 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 1EQY · Complex between rabbit muscle alpha-actin: human gelsolin domain 1 · the same entry in another collection · chain S against S, 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
- 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 1EQY · PDBe 1EQY · UniProt P06396 · UniProt P68135
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