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Crystal structure of actin capping protein in complex with the cp- binding motif derived from carmil

Analyse Crystal structure of actin capping protein in complex with the cp- binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3AA0
Type
protein
Length
532 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, Q6EDY6
Ligands
CO3
Pockets
6 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 39% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AF-actin-capping protein subunit alpha-1protein27040% helix, 34% strandP13127
BF-actin-capping protein subunit beta isoforms 1 and 2protein24339% helix, 36% strandP14315
C21MER peptide from leucine-rich repeat-containing protein 16Aprotein1921% helix, 0% strandQ6EDY6

Ligands and binding sites

  • CO3 · Carbonate ion · ion · chains A, B, 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11240.800.9824empty
2630.590.9023empty
31550.540.8024empty
41530.440.7622empty
5830.340.7519empty

Interfaces

3 interfaces between chains.

  • A–B · 3683 Ų buried · 62 hydrogen bonds · protein-protein
  • B–C · 1319 Ų buried · 29 hydrogen bonds · protein-protein
  • A–C · 155 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3AA0 · 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 0.98
  • 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
  • Q6EDY6 · AlphaFold monomer V2.0 prediction for F-actin-uncapping protein LRRC16A (Q6EDY6) · a predicted model of the same protein · chain C against A, TM-score 0.23

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