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MolNFT v1 · #184566 · protein

High resolution structure of alpha-1-acid glycoprotein bound to potent anti-tumour compound ucn-01

7OUB · Alpha-1-acid glycoprotein 2: “High resolution structure of alpha-1-acid glycoprotein bound to potent anti-tumour compound ucn-01”. X-ray diffraction, 1 ligand (UCN), 1 pocket (best druggability 0.75). MolNFT v1 #184566 on GenesisL1…

PDB
7OUB
Type
protein
Length
173 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-1-acid glycoprotein 2
UniProt
P19652
Ligands
UCN
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BAlpha-1-acid glycoprotein 2protein17319% helix, 42% strandP19652

Ligands and binding sites

  • UCN · 7-hydroxystaurosporine · ligand · chains B

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
13860.750.8531UCN

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7OUB · High resolution structure of Alpha-1-acid glycoprotein bound to potent anti-tumour… · the same entry in another collection · chain B against B, TM-score 1.00
  • P19652 · AlphaFold monomer V2.0 prediction for alpha-1-acid glycoprotein 2 (P19652) · a predicted model of the same protein · chain B against A, TM-score 0.95

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