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MolNFT v1 · #18225 · protein

Yeast actin interacting protein 1 (AIP1), orthorhombic crystal form

1PI6: “Yeast actin interacting protein 1 (AIP1), orthorhombic crystal form”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.75). MolNFT v1 #18225 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1PI6
Type
protein
Length
606 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin interacting protein 1
UniProt
P46680
Ligands
ZN
Pockets
5 · best druggability 0.75

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin interacting protein 1protein6061% helix, 53% strandP46680

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17070.750.8160empty
24220.730.8443empty
32940.660.8238empty
43740.590.7657empty
5750.310.7417empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1PI6 · YEAST ACTIN INTERACTING PROTEIN 1 (Aip1), ORTHORHOMBIC CRYSTAL FORM · the same entry in another collection · chain A against A, TM-score 1.00
  • P46680 · AlphaFold monomer V2.0 prediction for actin-interacting protein 1 (P46680) · a predicted model of the same protein · chain A against A, TM-score 1.00

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