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MolNFT v1 · #134290 · protein

Protocadherin gamma A9 extracellular cadherin domains 1-5

5SZN: “Protocadherin gamma A9 extracellular cadherin domains 1-5”. X-ray diffraction, 4 ligands (NAG, MAN, BMA), 2 pockets (best druggability 0.62). MolNFT v1 #134290 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5SZN
Type
protein
Length
523 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protocadherin gamma A9
UniProt
Q91XX9
Ligands
NAG, MAN, BMA, CA
Pockets
2 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtocadherin gamma A9protein5236% helix, 44% strandQ91XX9

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A
  • BMA · beta-D-mannopyranose · sugar
  • CA · Calcium ion · metal · 15 copies · chains A
  • GOL · Glycerol · additive · 2 copies · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11680.620.8436empty
2770.610.8918empty

Modifications

Observed in the structure: 5 glycan, 1 disulfide (O-glycosylation, N-glycosylation, disulfide).

Compared structures

  • 5SZN · Protocadherin gamma A9 extracellular cadherin domains 1-5 · the same entry in another collection · chain A against A, TM-score 1.00

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