MolNFT v1 · #163105 · protein
Hfd domain of mouse CAP1 bound to the pointed end of G-actin
6RSW · Actin, alpha skeletal muscle: “Hfd domain of mouse CAP1 bound to the pointed end of G-actin”. X-ray diffraction, 2 ligands (ADP, MG), 6 pockets (best druggability 0.78). MolNFT v1 #163105 on GenesisL1: 3D structure, binding sites…
- PDB
- 6RSW
- Type
- protein
- Length
- 684 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle; Twinfilin-1; Adenylyl cyclase-associated protein 1
- UniProt
- P68135, Q91YR1, P40124
- Ligands
- ADP, MG
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin, alpha skeletal muscle | protein | 373 | 45% helix, 20% strand | P68135 |
| B | Twinfilin-1 | protein | 140 | 36% helix, 31% strand | Q91YR1 |
| C | Adenylyl cyclase-associated protein 1 | protein | 171 | 79% helix, 0% strand | P40124 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 645 | 0.78 | 0.84 | 86 | MG, ADP |
| 2 | 252 | 0.64 | 0.82 | 44 | MG |
| 3 | 194 | 0.57 | 0.80 | 21 | empty |
| 4 | 142 | 0.53 | 0.80 | 23 | empty |
| 5 | 109 | 0.39 | 0.75 | 25 | empty |
Interfaces
2 interfaces between chains.
- A–C · 1259 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1213 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 6RSW · HFD domain of mouse CAP1 bound to the pointed end of G-actin · the same entry in another collection · chain A against A, TM-score 1.00
- Q91YR1 · AlphaFold monomer V2.0 prediction for twinfilin-1 (Q91YR1) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P40124 · AlphaFold monomer V2.0 prediction for adenylyl cyclase-associated protein 1 (P40124) · a predicted model of the same protein · chain C against A, TM-score 0.99
- 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 0.90
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 P68135
- Every structure of UniProt Q91YR1
- Every structure of UniProt P40124
- Elsewhere: RCSB PDB 6RSW · PDBe 6RSW · UniProt P68135 · UniProt Q91YR1 · UniProt P40124
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