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Crystal structures of human pyy and npy

Analyse Crystal structures of human pyy and npy in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7RT9
Type
protein
Length
907 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
4A3B2-a Fab heavy chain; 4A3B2-a Fab light chain; Peptide yy
UniProt
P10082
Ligands
NH2
Pockets
6 · best druggability 0.67

Structure

x-ray diffraction · 6 distinct chains · 11% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A4A3B2-a Fab heavy chainprotein2046% helix, 52% strand—
B4A3B2-a Fab light chainprotein2127% helix, 50% strand—
C4A3B2-a Fab heavy chainprotein2079% helix, 53% strand—
D4A3B2-a Fab light chainprotein2136% helix, 50% strand—
YPeptide yyprotein3656% helix, 0% strandP10082
ZPeptide yyprotein3557% helix, 0% strandP10082

Ligands and binding sites

  • NH2 · Amino group · ion · 2 copies · chains A, Y, C, Z
  • GOL · Glycerol · additive · 2 copies · chains A, Y

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18090.670.7484empty
25420.620.7566empty
3540.550.9022empty
4550.470.8622empty
51000.420.7817empty

Interfaces

8 interfaces between chains.

  • C–D · 1543 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1500 Ų buried · 9 hydrogen bonds · protein-protein
  • A–Y · 379 Ų buried · 4 hydrogen bonds · protein-protein
  • C–Z · 350 Ų buried · 3 hydrogen bonds · protein-protein
  • B–Y · 329 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 7RT9 · Crystal structures of human PYY and NPY · the same entry in another collection · chain Y against Y, TM-score 1.00
  • P10082 · AlphaFold monomer V2.0 prediction for peptide yy (P10082) · a predicted model of the same protein · chain Z against A, TM-score 0.80

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