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MolNFT v1 · #83887 · protein

Crystal structure of the computationally designed PIZZA2 protein

3WW7: “Crystal structure of the computationally designed PIZZA2 protein”. X-ray diffraction, 1 pocket (best druggability 0.70). MolNFT v1 #83887 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3WW7
Type
protein
Length
246 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PIZZA2 protein
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CPIZZA2 proteinprotein827% helix, 39% strand—

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A, B, C

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
13750.700.8242empty

Interfaces

3 interfaces between chains.

  • A–C · 827 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 822 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 819 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 3WW7 · Crystal structure of the computationally designed Pizza2 protein · the same entry in another collection · chain A against A, TM-score 1.00

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