MolNFT v1 · #57517 · protein
Crystal structure of actin capping protein in complex with the cp- binding motif derived from ckip-1
3AA1 · F-actin-capping protein subunit alpha-1: “Crystal structure of actin capping protein in complex with the cp- binding motif derived from ckip-1”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #57517 on GenesisL1…
- PDB
- 3AA1
- Type
- protein
- Length
- 535 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- F-actin-capping protein subunit alpha-1; F-actin-capping protein subunit beta isoforms 1…
- UniProt
- P13127, P14315, Q53GL0
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | F-actin-capping protein subunit alpha-1 | protein | 271 | 40% helix, 32% strand | P13127 |
| B | F-actin-capping protein subunit beta isoforms 1 and 2 | protein | 243 | 39% helix, 37% strand | P14315 |
| C | 23MER peptide from pleckstrin homology domain-containing family O member 1 | protein | 21 | 14% helix, 0% strand | Q53GL0 |
Ligands and binding sites
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.78 | 0.98 | 23 | empty |
| 2 | 222 | 0.59 | 0.80 | 28 | empty |
| 3 | 127 | 0.43 | 0.76 | 23 | empty |
| 4 | 142 | 0.41 | 0.75 | 27 | empty |
| 5 | 90 | 0.37 | 0.76 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3704 Ų buried · 60 hydrogen bonds · protein-protein
- B–C · 1389 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 88 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3AA1 · Crystal structure of Actin capping protein in complex with the Cp-binding motif derived… · the same entry in another collection · chain A against A, TM-score 1.00
- P14315 · AlphaFold monomer V2.0 prediction for F-actin-capping protein subunit beta isoforms 1 and… · a predicted model of the same protein · chain B against A, TM-score 0.97
- P13127 · AlphaFold monomer V2.0 prediction for F-actin-capping protein subunit alpha-1 (P13127) · a predicted model of the same protein · chain A against A, TM-score 0.94
- Q53GL0 · AlphaFold monomer V2.0 prediction for pleckstrin homology domain- containing family O… · a predicted model of the same protein · chain C against A, TM-score 0.17
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 P13127
- Every structure of UniProt P14315
- Every structure of UniProt Q53GL0
- Elsewhere: RCSB PDB 3AA1 · PDBe 3AA1 · UniProt P13127 · UniProt P14315 · UniProt Q53GL0
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