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MolNFT v1 · #1342 · protein

Arrestin from bovine rod outer segments

1AYR: “Arrestin from bovine rod outer segments”. X-ray diffraction, 18 pockets (best druggability 0.72). MolNFT v1 #1342 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1AYR
Type
protein
Length
1,462 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Arrestin
UniProt
P08168
Pockets
18 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CArrestinprotein3685% helix, 48% strandP08168
B, DArrestinprotein3635% helix, 50% strandP08168

Pockets

18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18680.720.7775empty
25300.690.7957empty
3500.680.9723empty
42140.610.8134empty
51080.570.8522empty

Interfaces

4 interfaces between chains.

  • B–C · 705 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 681 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 638 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 618 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 1AYR · Arrestin from bovine rod outer segments · the same entry in another collection · chain A against A, TM-score 1.00
  • P08168 · AlphaFold monomer V2.0 prediction for S-arrestin (P08168) · a predicted model of the same protein · chain A against A, TM-score 0.91

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