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In-vivo crystallisation (midguts of a viviparous cockroach) and structure at 2.5 a resolution of a glycosylated, lipid-binding, lipocalin-like protein

Analyse In-vivo crystallisation (midguts of a viviparous cockroach) and structure at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4NYR
Type
protein
Length
153 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Milk protein
UniProt
Q6SVB6
Ligands
NAG
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMilk proteinprotein15310% helix, 45% strandQ6SVB6

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.640.8724empty
2680.360.7814GOL

Modifications

Observed in the structure: 3 glycan, 2 disulfide (N-glycosylation, disulfide).

Compared structures

  • 4NYR · In-vivo crystallisation (midguts of a viviparous cockroach) and structure at 2.5 A… · the same entry in another collection · chain A against A, TM-score 1.00

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