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Structural basis for selectivity of a small molecule, S1-binding, sub- micromolar inhibitor of urokinase type plasminogen activator

Analyse Structural basis for selectivity of a small molecule, S1-binding, sub… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1C5P
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (trypsin)
EC
3.4.21.4
UniProt
P00760
Ligands
BEN, CA, MG, SO4

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (trypsin) (EC 3.4.21.4)protein22310% helix, 35% strandP00760

Ligands and binding sites

  • BEN · Benzamidine · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A

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

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1C5P · Structural basis for selectivity of a small molecule, S1-binding, sub-micromolar… · the same entry in another collection · chain A against A, TM-score 1.00

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