MolNFT v1 · #16000 · protein
Crystal structure of dictyostelium discoideum actin complexed with ca ATP and human gelsolin segment 1
1NLV: “Crystal structure of dictyostelium discoideum actin complexed with ca ATP and human gelsolin segment 1”. X-ray diffraction, 4 ligands (ATP, SO2, CA), 5 pockets (best druggability 0.73). MolNFT v1 #16000 on GenesisL1: 3D structure…
- PDB
- 1NLV
- Type
- protein
- Length
- 487 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin; Gelsolin
- UniProt
- P02577, P06396
- Ligands
- ATP, SO2, CA, SO4
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin | protein | 364 | 45% helix, 20% strand | P02577 |
| G | Gelsolin | protein | 123 | 24% helix, 35% strand | P06396 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- SO2 · Sulfur dioxide · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A, G
- SO4 · Sulfate ion · ion · 2 copies · chains A, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 430 | 0.73 | 0.83 | 51 | CA, ATP |
| 2 | 248 | 0.64 | 0.82 | 33 | empty |
| 3 | 174 | 0.46 | 0.76 | 22 | empty |
| 4 | 68 | 0.28 | 0.73 | 17 | empty |
| 5 | 53 | 0.26 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–G · 1008 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1NLV · Crystal Structure Of Dictyostelium Discoideum Actin Complexed With Ca ATP And Human… · the same entry in another collection · chain A against A, TM-score 1.00
- P06396 · AlphaFold monomer V2.0 prediction for gelsolin (P06396) · a predicted model of the same protein · chain G 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 P02577
- Every structure of UniProt P06396
- Elsewhere: RCSB PDB 1NLV · PDBe 1NLV · UniProt P02577 · UniProt P06396
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