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Crystal structure of an actin monomer in complex with a chimeric peptide of cordon-bleu WH2 mutant and mim.

Analyse Crystal structure of an actin monomer in complex with a chimeric peptide of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6JH8
Type
protein
Length
390 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle; Cordon-bleu mim chimeric peptide
UniProt
P68135, Q5NBX1
Ligands
ATP, CA
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin, alpha skeletal muscleprotein36145% helix, 21% strandP68135
BCordon-bleu mim chimeric peptideprotein2948% helix, 10% strandQ5NBX1

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13400.790.8949ATP, CA
21750.570.8133empty

Interfaces

1 interface between chains.

  • A–B · 1293 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (methylation).

Compared structures

  • 6JH8 · Crystal structure of an actin monomer in complex with a chimeric peptide of Cordon-Bleu… · the same entry in another collection · chain A against A, TM-score 1.00
  • 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 0.99
  • Q5NBX1 · AlphaFold monomer V2.0 prediction for protein cordon-bleu (Q5NBX1) · a predicted model of the same protein · chain B against A, TM-score 0.42

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