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Crystal structure of nprr in complex with its cognate peptide nprx

Analyse Crystal structure of nprr in complex with its cognate peptide nprx in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GPK
Type
protein
Length
4,208 residues
Chains
24
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nprr; Nprx peptide
UniProt
G5DDY8
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 13 distinct chains · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANprrprotein34379% helix, 0% strandG5DDY8
BNprrprotein34272% helix, 0% strandG5DDY8
CNprrprotein34075% helix, 0% strandG5DDY8
DNprrprotein34279% helix, 0% strandG5DDY8
ENprrprotein33975% helix, 0% strandG5DDY8
FNprrprotein34178% helix, 0% strandG5DDY8
GNprrprotein34578% helix, 0% strandG5DDY8
HNprrprotein34379% helix, 0% strandG5DDY8
INprrprotein34477% helix, 0% strandG5DDY8
JNprrprotein34779% helix, 0% strandG5DDY8
KNprrprotein34075% helix, 0% strandG5DDY8
LNprrprotein34677% helix, 0% strandG5DDY8
M, N, O, P, Q, R, S, T, U, V, W, XNprx peptideprotein80% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17570.800.8484empty
210560.800.8192empty
36890.790.8481empty
43740.770.8750empty
57570.770.8152empty

Interfaces

30 interfaces between chains.

  • A–B · 1142 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 1033 Ų buried · 14 hydrogen bonds · protein-protein
  • I–J · 1031 Ų buried · 6 hydrogen bonds · protein-protein
  • I–L · 1031 Ų buried · 5 hydrogen bonds · protein-protein
  • G–H · 1022 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4GPK · Crystal structure of NprR in complex with its cognate peptide NprX · the same entry in another collection · chain G against G, TM-score 1.00

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