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MolNFT v1 · #22219 · protein

Crystal structure of signalling protein from goat spg-40 in the presense of N,N',N''-triacetyl-chitotriose at 2.6A resolution

1SYT · BP40: “Crystal structure of signalling protein from goat spg-40 in the presense of N,N',N''-triacetyl-chitotriose at…”. X-ray diffraction, 2 ligands (NAG, MAN), 4 pockets (best druggability 0.58). MolNFT v1 #22219 on GenesisL1: 3D…

PDB
1SYT
Type
protein
Length
361 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BP40
Ligands
NAG, MAN
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABP40protein36135% helix, 24% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12430.580.7944empty
22440.530.7725empty
3880.350.7416empty
4590.320.7616empty

Modifications

Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 1SYT · Crystal structure of signalling protein from goat SPG-40 in the presense of… · the same entry in another collection · chain A against A, TM-score 1.00

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