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MolNFT v1 · #73782 · protein

The crystal structure of a possilbe exported protein from bordetella parapertussis

3OCJ · Putative exported protein: “The crystal structure of a possilbe exported protein from bordetella parapertussis”. X-ray diffraction, 1 ligand (PLM), 2 pockets (best druggability 0.79). MolNFT v1 #73782 on GenesisL1: 3D structure…

PDB
3OCJ
Type
protein
Length
300 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative exported protein
UniProt
Q7WBE0
Ligands
PLM
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative exported proteinprotein30048% helix, 14% strandQ7WBE0

Ligands and binding sites

  • PLM · Palmitic acid · ligand · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16240.790.8474GOL, PLM
2780.320.7420empty

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3OCJ · The crystal structure of a possilbe exported protein from Bordetella parapertussis · the same entry in another collection · chain A against A, TM-score 1.00

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