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Prommp-7 with heparin octasaccharide bridging between domains

Analyse Prommp-7 with heparin octasaccharide bridging between domains in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UE2
Type
protein
Length
247 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Matrilysin
EC
3.4.24.23
UniProt
P09237
Ligands
SGN, IDS, CA, ZN
Pockets
4 · best druggability 0.61

Structure

solution nmr · 1 distinct chain · 33% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMatrilysin (EC 3.4.24.23)protein24733% helix, 9% strandP09237

Ligands and binding sites

  • SGN · 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose · sugar · 4 copies · chains A
  • IDS · 2-O-sulfo-alpha-L-idopyranuronic acid · sugar · 4 copies · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13880.610.7743SGN
22140.490.7531empty
3520.370.8012empty
4590.310.7511empty

Compared structures

  • 5UE2 · proMMP-7 with heparin octasaccharide bridging between domains · the same entry in another collection · chain A against A, TM-score 1.00
  • P09237 · AlphaFold monomer V2.0 prediction for matrilysin (P09237) · a predicted model of the same protein · chain A against A, TM-score 0.82

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