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Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential

Analyse Endogenous-like inhibitory antibodies targeting activated metalloproteinase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UTZ
Type
protein
Length
1,283 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metalloproteinase, light chain; Metalloproteinase, heavy chain
Ligands
SO4
Pockets
13 · best druggability 0.62

Structure

x-ray diffraction · 6 distinct chains · 7% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMetalloproteinase, light chainprotein2157% helix, 52% strand—
BMetalloproteinase, heavy chainprotein2178% helix, 52% strand—
DMetalloproteinase, light chainprotein2126% helix, 52% strand—
CMetalloproteinase, heavy chainprotein2148% helix, 53% strand—
EMetalloproteinase, light chainprotein2127% helix, 51% strand—
FMetalloproteinase, heavy chainprotein2137% helix, 53% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 10 copies · chains B, F, A, D, C

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

Pockets

13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15810.620.7454empty
24660.580.7449empty
33700.580.7535SO4
42430.570.7842empty
51050.560.8415empty

Interfaces

9 interfaces between chains.

  • A–B · 1775 Ų buried · 16 hydrogen bonds · protein-protein
  • D–C · 1677 Ų buried · 14 hydrogen bonds · protein-protein
  • E–F · 1659 Ų buried · 15 hydrogen bonds · protein-protein
  • B–F · 577 Ų buried · 4 hydrogen bonds · protein-protein
  • C–F · 437 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 3UTZ · Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show… · the same entry in another collection · chain A against A, TM-score 1.00

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