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Crystal structure of dipeptidyl peptidase IV (dpp IV) from pseudoxanthomonas mexicana WO24

Analyse Crystal structure of dipeptidyl peptidase IV (dpp IV) from pseudoxanthomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YP1
Type
protein
Length
2,826 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dipeptidyl aminopeptidase 4
EC
3.4.14.5
UniProt
Q6F3I7
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 4 distinct chains · 17% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADipeptidyl aminopeptidase 4 (EC 3.4.14.5)protein69516% helix, 34% strandQ6F3I7
BDipeptidyl aminopeptidase 4 (EC 3.4.14.5)protein72417% helix, 35% strandQ6F3I7
CDipeptidyl aminopeptidase 4 (EC 3.4.14.5)protein70417% helix, 35% strandQ6F3I7
DDipeptidyl aminopeptidase 4 (EC 3.4.14.5)protein70316% helix, 32% strandQ6F3I7

Ligands and binding sites

  • GOL · Glycerol · additive · chains B

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111660.860.87126empty
29360.800.82109GOL
39050.780.8195empty
410300.770.7999empty
59570.770.79111empty

Interfaces

3 interfaces between chains.

  • B–C · 1580 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1433 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 1318 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5YP1 · Crystal structure of dipeptidyl peptidase IV (DPP IV) from Pseudoxanthomonas mexicana WO24 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q6F3I7 · AlphaFold monomer V2.0 prediction for dipeptidyl aminopeptidase 4 (Q6F3I7) · a predicted model of the same protein · chain B against A, TM-score 1.00

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