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MolNFT v1 · #150139 · protein

Structure of galectin-10 in complex with the Fab fragment of a charcot-leyden crystal solubilizing antibody, 6F5

6GKU: “Structure of galectin-10 in complex with the Fab fragment of a charcot-leyden crystal solubilizing antibody…”. X-ray diffraction, 1 ligand (CA), 6 pockets (best druggability 0.58). MolNFT v1 #150139 on GenesisL1: 3D structure…

PDB
6GKU
Type
protein
Length
568 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galectin-10; Fab 6F5 - heavy chain; Fab 6F5 - light chain
UniProt
Q05315
Ligands
CA
Pockets
6 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGalectin-10protein1404% helix, 56% strandQ05315
HFab 6F5 - heavy chainprotein2148% helix, 52% strand—
LFab 6F5 - light chainprotein2147% helix, 50% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • PGE · Triethylene glycol · additive · chains H, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14550.580.7458PGE
21570.480.7727empty
31600.460.7630empty
41380.430.7626empty
5620.320.7616empty

Interfaces

3 interfaces between chains.

  • H–L · 1837 Ų buried · 19 hydrogen bonds · protein-protein
  • A–H · 586 Ų buried · 9 hydrogen bonds · protein-protein
  • A–L · 285 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6GKU · Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal… · the same entry in another collection · chain A against A, 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 0.99

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