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MolNFT v1 · #36680 · protein

Structure of human urokinase plasminogen activator in complex with urokinase receptor and an anti-upar antibody at 1.9 a

2FD6 · Urokinase-type plasminogen activator: “Structure of human urokinase plasminogen activator in complex with urokinase receptor and an anti-upar…”. X-ray diffraction, 5 ligands (ETX, NAG, FUC), 8 pockets (best druggability 0.61).…

PDB
2FD6
Type
protein
Length
797 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Urokinase-type plasminogen activator; L chain of Fab of atn-615 anti-upar antibody; H…
EC
3.4.21.73
UniProt
P00749, Q52L64, Q4V9V8, Q03405
Ligands
ETX, NAG, FUC, NDG, SO4
Pockets
8 · best druggability 0.61

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUrokinase-type plasminogen activator (EC 3.4.21.73)protein1226% helix, 26% strandP00749
LL chain of Fab of atn-615 anti-upar antibodyprotein2146% helix, 50% strandQ52L64
HH chain of Fab of atn-615 anti-upar antibodyprotein2128% helix, 50% strandQ4V9V8
UUrokinase plasminogen activator surface receptorprotein2494% helix, 51% strandQ03405

Ligands and binding sites

  • ETX · 2-ethoxyethanol · ligand · 3 copies · chains L, U, H
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains U
  • FUC · alpha-L-fucopyranose · sugar
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains U
  • SO4 · Sulfate ion · ion · chains A, U
  • EDO · 1,2-ethanediol · additive · 2 copies · chains L, H
  • PGE · Triethylene glycol · additive · chains H, U
  • PG4 · Tetraethylene glycol · additive · chains H, U

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

Pockets

8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13630.610.7845SO4
23930.600.7640PGE, PG4
32480.500.7441empty
41360.450.7723empty
51290.420.7623empty

Interfaces

4 interfaces between chains.

  • L–H · 1770 Ų buried · 20 hydrogen bonds · protein-protein
  • A–U · 1125 Ų buried · 11 hydrogen bonds · protein-protein
  • H–U · 433 Ų buried · 13 hydrogen bonds · protein-protein
  • L–U · 261 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 23 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 2FD6 · Structure of Human Urokinase Plasminogen Activator in Complex with Urokinase Receptor and… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q03405 · AlphaFold monomer V2.0 prediction for urokinase plasminogen activator surface receptor… · a predicted model of the same protein · chain U against A, TM-score 0.98

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