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Structural determination of an protein complex of a Fab with increased solubility

Analyse Structural determination of an protein complex of a Fab with increased… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5EII
Type
protein
Length
1,129 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab heavy chain; Fab light chain; Histone chaperone ASF1
UniProt
P32447
Pockets
14 · best druggability 0.73

Structure

x-ray diffraction · 5 distinct chains · 6% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFab heavy chainprotein2208% helix, 54% strand—
B, LFab light chainprotein2126% helix, 51% strand—
GHistone chaperone ASF1protein1448% helix, 53% strandP32447
HFab heavy chainprotein2258% helix, 53% strand—
IHistone chaperone ASF1protein1160% helix, 53% strandP32447

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110890.730.7679empty
21430.580.8321empty
31760.570.8020empty
4600.540.8822empty
52970.540.7538empty

Interfaces

10 interfaces between chains.

  • H–L · 1890 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1726 Ų buried · 12 hydrogen bonds · protein-protein
  • G–H · 643 Ų buried · 13 hydrogen bonds · protein-protein
  • A–I · 621 Ų buried · 17 hydrogen bonds · protein-protein
  • G–I · 289 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 5EII · Structural determination of an protein complex of a Fab with increased solubility · the same entry in another collection · chain L against L, TM-score 1.00
  • P32447 · AlphaFold monomer V2.0 prediction for histone chaperone ASF1 (P32447) · a predicted model of the same protein · chain G against A, TM-score 0.98

Analyse

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