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MolNFT v1 · #73480 · protein

Crystal structure of spy

3O39 · Periplasmic protein related to spheroblast formation: “Crystal structure of spy”. X-ray diffraction, 1 ligand (CD), 1 pocket (best druggability 0.63). MolNFT v1 #73480 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3O39
Type
protein
Length
192 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Periplasmic protein related to spheroblast formation
UniProt
Q8XDZ4
Ligands
CD
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPeriplasmic protein related to spheroblast formationprotein9668% helix, 0% strandQ8XDZ4

Ligands and binding sites

  • CD · Cadmium ion · metal · 9 copies · chains A, 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
15010.630.7561empty

Interfaces

1 interface between chains.

  • A–B · 1614 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3O39 · Crystal Structure of SPY · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8XDZ4 · AlphaFold monomer V2.0 prediction for periplasmic chaperone spy (Q8XDZ4) · a predicted model of the same protein · chain A against A, TM-score 0.93

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