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MolNFT v1 · #80572 · protein

Ad related murine antibody fragment

3U0W · Fab heavy chain, ig gamma-1 chain C region: “Ad related murine antibody fragment”. X-ray diffraction, 4 pockets (best druggability 0.50). MolNFT v1 #80572 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3U0W
Type
protein
Length
419 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab heavy chain, ig gamma-1 chain C region; Fab light chain, ig kappa chain C region
UniProt
P01857, P01834
Pockets
4 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HFab heavy chain, ig gamma-1 chain C regionprotein20611% helix, 51% strandP01857
LFab light chain, ig kappa chain C regionprotein2136% helix, 50% strandP01834

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12510.500.7543empty
2960.390.7614empty
3900.340.7419empty
4500.280.7516empty

Interfaces

1 interface between chains.

  • H–L · 1547 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3U0W · AD related murine antibody Fragment · the same entry in another collection · chain H against H, TM-score 1.00
  • P01834 · AlphaFold monomer V2.0 prediction for immunoglobulin kappa constant (P01834) · a predicted model of the same protein · chain L against A, TM-score 0.50

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