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MolNFT v1 · #140712 · protein

Structural insights into periostin functions

5YJG: “Structural insights into periostin functions”. X-ray diffraction, 6 ligands (CYS, MG, CA), 5 pockets (best druggability 0.60). MolNFT v1 #140712 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5YJG
Type
protein
Length
594 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Periostin
UniProt
Q15063
Ligands
CYS, MG, CA, NA, ZN, CL
Pockets
5 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeriostinprotein59431% helix, 28% strandQ15063

Ligands and binding sites

  • CYS · Cysteine · ligand · chains A
  • MG · Magnesium ion · metal · 8 copies · chains A
  • CA · Calcium ion · metal · 6 copies · chains A
  • NA · Sodium ion · metal · chains A
  • ZN · Zinc ion · metal · chains A
  • CL · Chloride ion · ion · 16 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14080.600.7647CA
22910.540.7541CL
3840.480.8224empty
41250.480.7821empty
5790.320.7318empty

Modifications

Observed in the structure: 5 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

  • 5YJG · Structural insights into periostin functions · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15063 · AlphaFold monomer V2.0 prediction for periostin (Q15063) · a predicted model of the same protein · chain A against A, TM-score 0.89

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