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MolNFT v1 · #13290 · protein

Fc fragment of rituximab bound to a minimized version of the B-domain from protein a called Z34C

1L6X · Immunoglobulin gamma-1 heavy chain constant region: “Fc fragment of rituximab bound to a minimized version of the B-domain from protein a called Z34C”. X-ray diffraction, 5 ligands (NAG, MAN, GAL), 1 pocket (best druggability 0.33).…

PDB
1L6X
Type
protein
Length
241 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Immunoglobulin gamma-1 heavy chain constant region; Minimized B-domain of protein a Z34C
Ligands
NAG, MAN, GAL, BMA, FUL
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AImmunoglobulin gamma-1 heavy chain constant regionprotein20711% helix, 48% strand—
BMinimized B-domain of protein a Z34Cprotein3474% helix, 0% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A
  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · chains A
  • FUL · beta-L-fucopyranose · sugar · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1720.330.7521empty

Interfaces

1 interface between chains.

  • A–B · 739 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 1L6X · Fc fragment of rituximab bound to a minimized version of the B-domain from protein a… · the same entry in another collection · chain A against A, TM-score 1.00

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