Structure of PDB 1f5k Chain U Binding Site BS01

Receptor Information

>1f5k Chain U (length=247) Species: 9606 (Homo sapiens)

IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFID
YPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIAL
LKIRSKEGRCAQPSRTIQTISLPSMYNDPQFGTSCEITGFGKENSTDYLY
PEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGG
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKE

Ligand information

• Ligand ID: BEN
• InChI: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
• InChIKey: PXXJHWLDUBFPOL-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [H]/N=C(\c1ccccc1)/N
  CACTVS 3.341: NC(=N)c1ccccc1
  ACDLabs 10.04: [N@H]=C(N)c1ccccc1
  OpenEye OEToolkits 1.5.0: [H]N=C(c1ccccc1)N
• Formula: C7 H8 N2
• Name: BENZAMIDINE
• ChEMBL: CHEMBL20936
• ZINC: ZINC000000036634
• PDB chain: 1f5k Chain U Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1f5k Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D189 S190 G219
• Binding residue (residue number reindexed from 1): D192 S193 G221
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.73: u-plasminogen activator.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1f5k, PDBe:1f5k, PDBj:1f5k
• PDBsum: 1f5k
• PubMed: 10926521
• UniProt: P00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)