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MolNFT v1 · #64808 · protein

Donor strand complemented faeg monomer of F4 variant ad

3GEA · K88 fimbrial protein ad: “Donor strand complemented faeg monomer of F4 variant ad”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.41). MolNFT v1 #64808 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3GEA
Type
protein
Length
535 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
K88 fimbrial protein ad
UniProt
P14191
Ligands
SO4
Pockets
2 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AK88 fimbrial protein adprotein2749% helix, 43% strandP14191
BK88 fimbrial protein adprotein26110% helix, 45% strandP14191

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • GOL · Glycerol · additive · 5 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.410.8223empty
2760.330.7521SO4

Interfaces

1 interface between chains.

  • A–B · 682 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 3GEA · Donor strand complemented FaeG monomer of F4 variant ad · the same entry in another collection · chain A against A, TM-score 1.00
  • P14191 · AlphaFold monomer V2.0 prediction for K88 fimbrial protein ad (P14191) · a predicted model of the same protein · chain B against A, TM-score 0.89

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