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Crystal structure of the A2B1B2 domains from human neuropilin-1

Analyse Crystal structure of the A2B1B2 domains from human neuropilin-1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QQM
Type
protein
Length
436 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuropilin-1
UniProt
O14786
Ligands
NAG, FUC, CA
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeuropilin-1protein4365% helix, 46% strandO14786

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A
  • CA · Calcium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 6 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13730.650.7954EDO
21270.440.7717EDO
3850.360.7623empty
4550.280.7517empty

Modifications

Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 2QQM · Crystal Structure of the a2b1b2 Domains from Human Neuropilin-1 · the same entry in another collection · chain A against A, TM-score 1.00
  • O14786 · AlphaFold monomer V2.0 prediction for neuropilin-1 (O14786) · a predicted model of the same protein · chain A against A, TM-score 0.99

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