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MolNFT v1 · #120114 · protein

Crystal structure of zebrafish asc card domain

5GPQ · Maltose-binding periplasmic PROTEIN,APOPTOSIS-associated…: “Crystal structure of zebrafish asc card domain”. X-ray diffraction, 1 ligand (GLC), 4 pockets (best druggability 0.75). MolNFT v1 #120114 on GenesisL1: 3D structure…

PDB
5GPQ
Type
protein
Length
460 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose-binding periplasmic PROTEIN,APOPTOSIS-associated speck-like protein containing a…
UniProt
P0AEY0, Q9I9N6
Ligands
GLC
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose-binding periplasmic PROTEIN,APOPTOSIS-associated speck-like protein containing a cardprotein46051% helix, 17% strandP0AEY0, Q9I9N6

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
  • CIT · Citric acid · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15300.750.8246GLC
22950.580.7726empty
3720.390.7814empty
4710.330.7516empty

Compared structures

  • 5GPQ · Crystal Structure of zebrafish ASC CARD Domain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9I9N6 · AlphaFold monomer V2.0 prediction for apoptosis-associated speck-like protein containing… · a predicted model of the same protein · chain A against A, TM-score 0.22

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