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Fab 3B6 bound to APOL1 ntd

Analyse Fab 3B6 bound to APOL1 ntd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7LFA
Type
protein
Length
1,058 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apolipoprotein L1; Fab 3B6 heavy chain; Fab 3B6 light chain
UniProt
O14791
Ligands
CL
Pockets
11 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 31% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AApolipoprotein L1protein9482% helix, 0% strandO14791
B, HFab 3B6 heavy chainprotein22010% helix, 51% strand—
CApolipoprotein L1protein10081% helix, 0% strandO14791
D, LFab 3B6 light chainprotein2128% helix, 52% strand—

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains B, D, L
  • GOL · Glycerol · additive · 2 copies · chains B, H, L

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

Pockets

11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19930.690.74108GOL
25450.590.7359empty
31490.450.7635CL
41240.440.7619empty
51020.430.7827empty

Interfaces

7 interfaces between chains.

  • H–L · 1832 Ų buried · 13 hydrogen bonds · protein-protein
  • B–D · 1769 Ų buried · 12 hydrogen bonds · protein-protein
  • C–H · 378 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 362 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 361 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 7LFA · Fab 3B6 bound to ApoL1 NTD · the same entry in another collection · chain L against L, TM-score 1.00
  • O14791 · AlphaFold monomer V2.0 prediction for apolipoprotein L1 (O14791) · a predicted model of the same protein · chain A against A, TM-score 0.74

Analyse

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