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MolNFT v1 · #79550 · protein

Structure of human dppiii in complex with the opioid peptide tynorphin, at 3.0 ångströms

3T6J · Dipeptidyl peptidase 3: “Structure of human dppiii in complex with the opioid peptide tynorphin, at 3.0 ångströms”. X-ray diffraction, 6 pockets (best druggability 0.85). MolNFT v1 #79550 on GenesisL1: 3D structure, binding sites…

PDB
3T6J
Type
protein
Length
727 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dipeptidyl peptidase 3; Tynorphin
EC
3.4.14.4
UniProt
Q9NY33
Pockets
6 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADipeptidyl peptidase 3 (EC 3.4.14.4)protein72248% helix, 14% strandQ9NY33
BTynorphinprotein50% helix, 40% strand—

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111760.850.86121empty
21180.770.9627empty
32810.670.8237empty
41300.520.8132empty
5620.330.7616empty

Interfaces

1 interface between chains.

  • A–B · 695 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 3T6J · Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 3.0 Angstroms · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NY33 · AlphaFold monomer V2.0 prediction for dipeptidyl peptidase 3 (Q9NY33) · a predicted model of the same protein · chain A against A, TM-score 1.00

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