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MolNFT v1 · #97232 · protein

Generation and characterization of a unique reagent that recognizes a panel of recombinant human monoclonal antibody therapeutics in the presence of endogenous human IgG

4K7P · Antibody RHUMAB6 Fab fragment light chain: “Generation and characterization of a unique reagent that recognizes a panel of recombinant human monoclonal…”. X-ray diffraction, 10 pockets (best druggability 0.76). MolNFT v1 #97232 on…

PDB
4K7P
Type
protein
Length
859 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antibody RHUMAB6 Fab fragment light chain; Antibody RHUMAB6 Fab fragment heavy chain…
Pockets
10 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XAntibody RHUMAB6 Fab fragment light chainprotein2136% helix, 53% strand—
YAntibody RHUMAB6 Fab fragment heavy chainprotein2197% helix, 55% strand—
HAntibody 10C4 Fab fragment heavy chainprotein2136% helix, 46% strand—
LAntibody 10C4 Fab fragment light chainprotein2146% helix, 48% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110540.760.7890empty
22600.680.8436empty
32510.530.7634empty
4950.530.8426empty
52360.460.7341empty

Interfaces

6 interfaces between chains.

  • X–Y · 1823 Ų buried · 16 hydrogen bonds · protein-protein
  • H–L · 1774 Ų buried · 14 hydrogen bonds · protein-protein
  • Y–H · 972 Ų buried · 16 hydrogen bonds · protein-protein
  • X–H · 279 Ų buried · 5 hydrogen bonds · protein-protein
  • Y–L · 148 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 4K7P · Generation and Characterization of a Unique Reagent that Recognizes a Panel of… · the same entry in another collection · chain X against X, TM-score 1.00

Analyse

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