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An autoantibody to single-stranded DNA: comparison of the three- dimensional structures of the unliganded Fab and a deoxynucleotide- Fab complex

Analyse An autoantibody to single-stranded DNA: comparison of the three- dimensional… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1CBV
Type
protein + DNA
Length
441 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*TP*TP*T)-3'); Protein (Fab (BV04-01) autoantibody-light chain); Protein (Fab…
Pockets
4 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 5% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DDNA (5'-D(*TP*TP*T)-3')dna3——
LProtein (Fab (BV04-01) autoantibody-light chain)protein2195% helix, 47% strand—
HProtein (Fab (BV04-01) autoantibody-heavy chain)protein2194% helix, 50% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.550.8915empty
22070.450.7331empty
31510.440.7627empty
4970.380.7623empty

Interfaces

3 interfaces between chains.

  • L–H · 1834 Ų buried · 10 hydrogen bonds · protein-protein
  • D–H · 334 Ų buried · 12 hydrogen bonds · protein-nucleic
  • D–L · 252 Ų buried · 5 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 1CBV · An autoantibody to single-stranded DNA: comparison of the three-dimensional structures of… · the same entry in another collection · chain D against D, TM-score 1.00

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