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MolNFT v1 · #60082 · protein

The crystal structure of PDZ-fibronectin fusion protein

3CH8 · Fusion protein PDZ-fibronectin: “The crystal structure of PDZ-fibronectin fusion protein”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.31). MolNFT v1 #60082 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3CH8
Type
protein
Length
198 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion protein PDZ-fibronectin; C-terminal octatpeptide from protein arvcf
UniProt
Q96RT1
Ligands
MG
Pockets
1 · best druggability 0.31

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFusion protein PDZ-fibronectinprotein1905% helix, 44% strandQ96RT1
PC-terminal octatpeptide from protein arvcfprotein80% helix, 50% strand—

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.310.7519empty

Interfaces

1 interface between chains.

  • A–P · 837 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 3CH8 · The crystal structure of PDZ-Fibronectin fusion protein · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96RT1 · AlphaFold monomer V2.0 prediction for erbin (Q96RT1) · a predicted model of the same protein · chain A against A, TM-score 0.26

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