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Structure of the semaphorin 3A receptor-binding module

Analyse Structure of the semaphorin 3A receptor-binding module in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Q47
Type
protein
Length
979 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Semaphorin 3A
UniProt
O08665
Ligands
NAG
Pockets
10 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASemaphorin 3Aprotein4848% helix, 39% strandO08665
BSemaphorin 3Aprotein4957% helix, 42% strandO08665

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111520.840.8588empty
29840.740.7782empty
39140.740.7894empty
41290.480.7820empty
51150.420.7724empty

Interfaces

1 interface between chains.

  • A–B · 1478 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 4 glycan (disulfide, N-glycosylation, glycosylation).

Compared structures

  • 1Q47 · Structure of the Semaphorin 3A Receptor-Binding Module · the same entry in another collection · chain A against A, TM-score 1.00
  • O08665 · AlphaFold monomer V2.0 prediction for semaphorin-3A (O08665) · a predicted model of the same protein · chain A against A, TM-score 0.99

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