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MolNFT v1 · #187101 · protein

Crystal structure of alpha-cop-WD40 domain R57A mutant

7S16 · Coatomer subunit alpha: “Crystal structure of alpha-cop-WD40 domain R57A mutant”. X-ray diffraction, 2 ligands (ACE, NA), 1 pocket (best druggability 0.82). MolNFT v1 #187101 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7S16
Type
protein
Length
321 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Coatomer subunit alpha
UniProt
Q96WV5
Ligands
ACE, NA
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACoatomer subunit alphaprotein3212% helix, 53% strandQ96WV5

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A
  • NA · Sodium ion · metal · chains A

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
17550.820.8554NA

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 7S16 · Crystal structure of alpha-COP-WD40 domain R57A mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96WV5 · AlphaFold monomer V2.0 prediction for putative coatomer subunit alpha (Q96WV5) · a predicted model of the same protein · chain A against A, TM-score 0.96

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