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The crystal structure of wheat non-specific transfer protein complexed with two molecules of phospholipid at 2.1 a resolution

Analyse The crystal structure of wheat non-specific transfer protein complexed with two… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1BWO
Type
protein
Length
180 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nonspecific lipid-transfer protein
UniProt
P24296
Ligands
LPC
Pockets
2 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNonspecific lipid-transfer proteinprotein9062% helix, 0% strandP24296

Ligands and binding sites

  • LPC · [1-myristoyl-glycerol-3-yl]phosphonylcholine · ligand · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14170.840.9133LPC
24160.820.9034LPC

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 1BWO · The crystal structure of wheat non-specific transfer protein complexed with two molecules… · the same entry in another collection · chain A against A, TM-score 1.00
  • P24296 · AlphaFold monomer V2.0 prediction for non-specific lipid-transfer protein (P24296) · a predicted model of the same protein · chain A against A, TM-score 0.97

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