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MolNFT v1 · #104778 · protein

Crystal structure of the zebrafish CAVIN4A HR1 domain

4QKW · Muscle-related coiled-coil protein: “Crystal structure of the zebrafish CAVIN4A HR1 domain”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.64). MolNFT v1 #104778 on GenesisL1: 3D structure, binding sites and…

PDB
4QKW
Type
protein
Length
297 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Muscle-related coiled-coil protein
UniProt
A1L260
Ligands
CL
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 97% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMuscle-related coiled-coil proteinprotein10196% helix, 0% strandA1L260
BMuscle-related coiled-coil proteinprotein9996% helix, 0% strandA1L260
CMuscle-related coiled-coil proteinprotein9798% helix, 0% strandA1L260

Ligands and binding sites

  • CL · Chloride ion · ion · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1870.640.9016empty

Interfaces

3 interfaces between chains.

  • A–C · 1976 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1926 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 1906 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 4QKW · Crystal structure of the zebrafish cavin4a HR1 domain · the same entry in another collection · chain A against A, TM-score 1.00
  • A1L260 · AlphaFold monomer V2.0 prediction for caveolae-associated protein 4A (A1L260) · a predicted model of the same protein · chain B against A, TM-score 0.89

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