MolNFT v1 · #63634 · protein
Crystal structure of human gelsolin domains G1-G3 bound to actin
3FFK · Plasma gelsolin: “Crystal structure of human gelsolin domains G1-G3 bound to actin”. X-ray diffraction, 2 ligands (ATP, CA), 15 pockets (best druggability 0.74). MolNFT v1 #63634 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3FFK
- Type
- protein
- Length
- 1,413 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Plasma gelsolin; Actin, alpha skeletal muscle
- UniProt
- P06396, P68135
- Ligands
- ATP, CA
- Pockets
- 15 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Plasma gelsolin | protein | 347 | 26% helix, 30% strand | P06396 |
| B | Actin, alpha skeletal muscle | protein | 365 | 42% helix, 21% strand | P68135 |
| D | Plasma gelsolin | protein | 346 | 24% helix, 30% strand | P06396 |
| E | Actin, alpha skeletal muscle | protein | 355 | 44% helix, 21% strand | P68135 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, E
- CA · Calcium ion · metal · 10 copies · chains A, B, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 479 | 0.74 | 0.83 | 62 | CA, ATP |
| 2 | 495 | 0.73 | 0.82 | 60 | CA, ATP |
| 3 | 497 | 0.72 | 0.81 | 44 | empty |
| 4 | 686 | 0.70 | 0.78 | 49 | empty |
| 5 | 442 | 0.61 | 0.76 | 46 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2153 Ų buried · 42 hydrogen bonds · protein-protein
- D–E · 2025 Ų buried · 43 hydrogen bonds · protein-protein
- A–E · 187 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3FFK · Crystal structure of human Gelsolin domains G1-G3 bound to Actin · the same entry in another collection · chain B against B, TM-score 1.00
- P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain E against A, TM-score 0.99
- P06396 · AlphaFold monomer V2.0 prediction for gelsolin (P06396) · a predicted model of the same protein · chain A against A, TM-score 0.45
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 3FFK · PDBe 3FFK · UniProt P06396 · UniProt P68135
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