MolNFT v2 · #20501 · protein
Crystal structure of gelsolin domains G1-G3 bound to actin
1RGI: “Crystal structure of gelsolin domains G1-G3 bound to actin”. X-ray diffraction at 3, 2 ligands (ATP, CA), 6 pockets (best druggability 0.73). MolNFT v2 #20501 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1RGI
- Type
- protein
- Length
- 695 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3
- Source
- Equus caballus; Oryctolagus cuniculus
- Molecule
- Gelsolin; Actin, alpha skeletal muscle
- UniProt
- Q28372, P68135
- Ligands
- ATP, CA
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · resolution 3 · 2 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G | Gelsolin | protein | 346 | 26% helix, 30% strand | Q28372 |
| A | Actin, alpha skeletal muscle | protein | 349 | 43% helix, 21% strand | P68135 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- CA · Calcium ion · metal · 4 copies · chains G, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.73 | 0.82 | 60 | CA, ATP |
| 2 | 602 | 0.70 | 0.79 | 56 | empty |
| 3 | 344 | 0.53 | 0.74 | 32 | empty |
| 4 | 119 | 0.41 | 0.76 | 19 | empty |
| 5 | 87 | 0.34 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- G–A · 2028 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 1RGI · Crystal structure of gelsolin domains G1-G3 bound to actin · 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
- Q28372 · AlphaFold monomer V2.0 prediction for gelsolin (Q28372) · a predicted model of the same protein · chain G against A, TM-score 0.36
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 Q28372
- Every structure of UniProt P68135
- Elsewhere: RCSB PDB 1RGI · PDBe 1RGI · UniProt Q28372 · UniProt P68135
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