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Solution NMR structure of substrate bound peptidase domain from PCAT1

Analyse Solution NMR structure of substrate bound peptidase domain from PCAT1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7S5J
Type
protein
Length
175 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidase C39; Cta peptide
UniProt
A3DCU1, A3DCU2
Pockets
2 · best druggability 0.48

Structure

solution nmr · 2 distinct chains · 29% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidase C39protein15130% helix, 25% strandA3DCU1
BCta peptideprotein2425% helix, 17% strandA3DCU2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1790.480.8219empty
2690.280.7216empty

Interfaces

1 interface between chains.

  • A–B · 1105 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 7S5J · Solution NMR structure of substrate bound peptidase domain from PCAT1 · the same entry in another collection · chain A against A, TM-score 1.00

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