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MolNFT v1 · #97979 · protein

2H2 Fab fragment of immature dengue virus

4KVC · Ig heavy chain V region mopc 21, igh protein: “2H2 Fab fragment of immature dengue virus”. X-ray diffraction, 4 pockets (best druggability 0.64). MolNFT v1 #97979 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4KVC
Type
protein
Length
432 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ig heavy chain V region mopc 21, igh protein; Ig kappa chain V-V region mopc 21…
UniProt
P01783, Q6PIP8, P01634, Q7TS98
Pockets
4 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HIg heavy chain V region mopc 21, igh proteinprotein2207% helix, 54% strandP01783, Q6PIP8
LIg kappa chain V-V region mopc 21, anti-colorectal carcinoma light chainprotein2125% helix, 56% strandP01634, Q7TS98

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16330.640.7564empty
21200.470.7924empty
3750.320.7415empty
4580.270.7314empty

Interfaces

1 interface between chains.

  • H–L · 1904 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4KVC · 2H2 Fab fragment of immature Dengue virus · the same entry in another collection · chain H against H, TM-score 1.00
  • P01634 · AlphaFold monomer V2.0 prediction for ig kappa chain V-V region mopc 21 (P01634) · a predicted model of the same protein · chain L against A, TM-score 0.50

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