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Anti-morphine antibody 9B1 complexed with morphine

Analyse Anti-morphine antibody 9B1 complexed with morphine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Q0Y
Type
protein
Length
427 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab 9B1, light chain; Fab 9B1, heavy chain
UniProt
P01724, Q8VDC9
Ligands
MOI, SO4
Pockets
3 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LFab 9B1, light chainprotein2127% helix, 55% strandP01724
HFab 9B1, heavy chainprotein2157% helix, 54% strandQ8VDC9

Ligands and binding sites

  • MOI · (7r,7as,12bs)-3-methyl-2,3,4,4A,7,7A-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol · ligand · chains L, H
  • SO4 · Sulfate ion · ion · 2 copies · chains L, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11770.460.7527empty
2930.350.7418empty
3720.320.7522empty

Interfaces

1 interface between chains.

  • L–H · 1883 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1Q0Y · Anti-Morphine Antibody 9B1 Complexed with Morphine · the same entry in another collection · chain L against L, TM-score 1.00
  • P01724 · AlphaFold monomer V2.0 prediction for ig lambda-1 chain V regions mopc… · a predicted model of the same protein · chain L against A, TM-score 0.51

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