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MolNFT v1 · #110310 · protein

Structure of a variable lymphocyte receptor-like protein BF66946 from branchiostoma floridae

4XSQ: “Structure of a variable lymphocyte receptor-like protein BF66946 from branchiostoma floridae”. X-ray diffraction, 5 pockets (best druggability 0.74). MolNFT v1 #110310 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4XSQ
Type
protein
Length
354 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Variable lymphocyte receptor-like protein BF66946
UniProt
C3YZ59
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVariable lymphocyte receptor-like protein BF66946protein17420% helix, 20% strandC3YZ59
BVariable lymphocyte receptor-like protein BF66946protein18018% helix, 18% strandC3YZ59

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111710.740.7778empty
2910.470.8131empty
3530.320.7714EDO
4520.300.7613empty
5530.260.7416empty

Interfaces

1 interface between chains.

  • A–B · 620 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 modified, 8 disulfide (engineered, disulfide).

Compared structures

  • 4XSQ · Structure of a variable lymphocyte receptor-like protein Bf66946 from Branchiostoma… · the same entry in another collection · chain A against A, TM-score 1.00
  • C3YZ59 · AlphaFold monomer V2.0 prediction for leucine-rich repeat-containing protein BF66946… · a predicted model of the same protein · chain A against A, TM-score 0.99

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