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Unbound antigen-binding fragment (Fab) 324

Analyse Unbound antigen-binding fragment (Fab) 324 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7NX2
Type
protein
Length
858 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab 324 light chain; Fab 324 heavy chain
Ligands
SO4
Pockets
6 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFab 324 light chainprotein2106% helix, 54% strand—
B, DFab 324 heavy chainprotein21610% helix, 53% strand—
CFab 324 light chainprotein2166% helix, 53% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 7 copies · chains A, B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17350.670.7583SO4
27320.660.7486empty
3870.530.8525empty
4690.490.8521empty
5960.360.7520SO4

Interfaces

5 interfaces between chains.

  • C–D · 1812 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1795 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 336 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 133 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 61 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 7NX2 · Unbound antigen-binding fragment (FAb) 324 · the same entry in another collection · chain B against B, TM-score 1.00

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