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MolNFT v1 · #71562 · protein

The complex crystal structure of urokianse and 2-aminobenzothiazole

3MHW · Urokinase-type plasminogen activator: “The complex crystal structure of urokianse and 2-aminobenzothiazole”. X-ray diffraction, 2 ligands (ABV, SO4), 1 pocket (best druggability 0.46). MolNFT v1 #71562 on GenesisL1: 3D structure…

PDB
3MHW
Type
protein
Length
246 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Urokinase-type plasminogen activator
EC
3.4.21.73
UniProt
P00749
Ligands
ABV, SO4
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
UUrokinase-type plasminogen activator (EC 3.4.21.73)protein24611% helix, 40% strandP00749

Ligands and binding sites

  • ABV · 1,3-benzothiazol-2-amine · ligand · chains U
  • SO4 · Sulfate ion · ion · chains U

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
11760.460.7635SO4, ABV

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 3MHW · The complex crystal Structure of Urokianse and 2-Aminobenzothiazole · the same entry in another collection · chain U against U, TM-score 1.00

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