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Identification of small molecule inhibitors selective for APO(A) kringles kiv-7, kiv-10 and kv.

Analyse Identification of small molecule inhibitors selective for APO(A) kringles… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4BVC
Type
protein
Length
79 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
APOLIPOPROTEIN(A)
EC
3.4.21.-
UniProt
P08519
Ligands
BV5, CL

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAPOLIPOPROTEIN(A) (EC 3.4.21.-)protein790% helix, 19% strandP08519

Ligands and binding sites

  • BV5 · 3-(4-piperidyl)-N-[2-(trifluoromethoxy)phenyl]sulfonyl-propanamide · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 4BVC · Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10… · the same entry in another collection · chain A against A, TM-score 1.00

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