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Mouse semaphorin 3A, domains sema-psi-ig

Analyse Mouse semaphorin 3A, domains sema-psi-ig in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GZ8
Type
protein
Length
1,112 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Semaphorin-3A
UniProt
O08665
Ligands
NAG, BMA, MAN, CA
Pockets
10 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASemaphorin-3Aprotein5577% helix, 38% strandO08665
BSemaphorin-3Aprotein5557% helix, 38% strandO08665

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 2 copies
  • MAN · alpha-D-mannopyranose · sugar · 2 copies
  • CA · Calcium ion · metal · 5 copies · chains A, B
  • ACT · Acetate ion · additive · 2 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, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111760.840.8479empty
29710.740.7887CA
39010.740.7882CA
42040.560.7931empty
52420.540.7733empty

Interfaces

1 interface between chains.

  • A–B · 1243 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 4GZ8 · Mouse Semaphorin 3A, domains Sema-PSI-IG · 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 B against A, TM-score 0.99

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