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Matrilysin complexed with sulfodiimine inhibitor

Analyse Matrilysin complexed with sulfodiimine inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1MMR
Type
protein
Length
167 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Matrilysin
EC
3.4.24.23
UniProt
P09237
Ligands
SRS, ZN, CA
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMatrilysin (EC 3.4.24.23)protein16724% helix, 17% strandP09237

Ligands and binding sites

  • SRS · 4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • CA · Calcium ion · metal · 2 copies · 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
1740.410.8018SRS

Compared structures

  • 1MMR · Matrilysin complexed with sulfodiimine inhibitor · 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 0.96

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