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BHA10 IGG1 Fab quadruple mutant variant - antibody directed at human ltbr

Analyse BHA10 IGG1 Fab quadruple mutant variant - antibody directed at human ltbr in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3HC4
Type
protein
Length
425 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Immunoglobulin IGG1 Fab, heavy chain; Immunoglobulin IGG1 Fab, light chain
Ligands
ZN
Pockets
6 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HImmunoglobulin IGG1 Fab, heavy chainprotein2129% helix, 54% strand—
LImmunoglobulin IGG1 Fab, light chainprotein2136% helix, 51% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains H, L
  • ACT · Acetate ion · additive · 3 copies · chains H, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.480.8322empty
21590.440.7534empty
32080.430.7229empty
4750.360.7615empty
5790.360.7617empty

Interfaces

1 interface between chains.

  • H–L · 1602 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3HC4 · BHA10 IgG1 Fab quadruple mutant variant - antibody directed at human LTBR · the same entry in another collection · chain H against H, TM-score 1.00

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