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Crystal structure of matriptase in complex with inhibitor".

Analyse Crystal structure of matriptase in complex with inhibitor". in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JZI
Type
protein
Length
241 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Suppressor of tumorigenicity 14 protein
EC
3.4.21.109
UniProt
Q9Y5Y6
Ligands
N4C
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuppressor of tumorigenicity 14 protein (EC 3.4.21.109)protein24110% helix, 37% strandQ9Y5Y6

Ligands and binding sites

  • N4C · N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1660.350.7719N4C

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 4JZI · Crystal Structure of Matriptase in complex with Inhibitor". · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y5Y6 · AlphaFold monomer V2.0 prediction for suppressor of tumorigenicity 14 protein (Q9Y5Y6) · a predicted model of the same protein · chain A against A, TM-score 0.99

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