MolNFT v1 · #57374 · protein
Crystal structure of a dictyostelium P109I CA2+-actin in complex with human gelsolin segment 1
3A5O: “Crystal structure of a dictyostelium P109I CA2+-actin in complex with human gelsolin segment 1”. X-ray diffraction, 2 ligands (ATP, CA), 6 pockets (best druggability 0.72). MolNFT v1 #57374 on GenesisL1: 3D structure, binding sites…
- PDB
- 3A5O
- Type
- protein
- Length
- 490 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gelsolin; Major actin
- UniProt
- P06396, P07830
- Ligands
- ATP, CA
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| S | Gelsolin | protein | 123 | 22% helix, 35% strand | P06396 |
| C | Major actin | protein | 367 | 46% helix, 20% strand | P07830 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains C
- CA · Calcium ion · metal · 3 copies · chains S, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 346 | 0.72 | 0.84 | 56 | CA, ATP |
| 2 | 255 | 0.63 | 0.81 | 34 | empty |
| 3 | 200 | 0.49 | 0.76 | 21 | empty |
| 4 | 51 | 0.33 | 0.78 | 15 | empty |
| 5 | 80 | 0.32 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- S–C · 1018 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 3A5O · Crystal Structure of a Dictyostelium P109I Ca2+-Actin in Complex with Human Gelsolin… · the same entry in another collection · chain S against S, TM-score 1.00
- P07830 · AlphaFold monomer V2.0 prediction for major actin (P07830) · a predicted model of the same protein · chain C against A, TM-score 0.97
- 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 P07830
- Elsewhere: RCSB PDB 3A5O · PDBe 3A5O · UniProt P06396 · UniProt P07830
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