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MolNFT v1 · #150177 · protein

Structure of galectin-10 in complex with the Fab fragment of a charcot-leyden crystal solubilizing antibody, 1D11

6GLW: “Structure of galectin-10 in complex with the Fab fragment of a charcot-leyden crystal solubilizing antibody…”. X-ray diffraction, 14 pockets (best druggability 0.61). MolNFT v1 #150177 on GenesisL1: 3D structure, binding sites and…

PDB
6GLW
Type
protein
Length
1,155 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galectin-10; Fab 1D11 - heavy chain; Fab 1D11 - light chain
UniProt
Q05315
Pockets
14 · best druggability 0.61

Structure

x-ray diffraction · 6 distinct chains · 7% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGalectin-10protein1394% helix, 54% strandQ05315
BGalectin-10protein1394% helix, 54% strandQ05315
CFab 1D11 - heavy chainprotein2188% helix, 50% strand—
DFab 1D11 - light chainprotein2138% helix, 51% strand—
HFab 1D11 - heavy chainprotein2308% helix, 48% strand—
LFab 1D11 - light chainprotein2166% helix, 50% strand—

Ligands and binding sites

  • PG4 · Tetraethylene glycol · additive · chains B
  • ACT · Acetate ion · additive · chains H

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

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12210.610.8125empty
25140.580.7352empty
32410.580.7927empty
42350.550.7733empty
53350.520.7340empty

Interfaces

7 interfaces between chains.

  • H–L · 1916 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 1676 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 908 Ų buried · 22 hydrogen bonds · protein-protein
  • B–C · 510 Ų buried · 8 hydrogen bonds · protein-protein
  • A–H · 508 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

  • 6GLW · Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal… · the same entry in another collection · chain L against L, TM-score 1.00
  • Q05315 · AlphaFold monomer V2.0 prediction for galectin-10 (Q05315) · a predicted model of the same protein · chain A against A, TM-score 0.98

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