Structure of PDB 5dnu Chain A Binding Site BS01

Receptor Information

>5dnu Chain A (length=267) Species: 68872 (Striga hermonthica)

RVEAARNVHIVGSGDTTVVLGHGFGTDQSVWKHLVPYLVDSYRVLLYDNM
GAGSTNPEYFHFERYSTLQGYAHDLLVILHEFNIRSCIFVGHSLSAMTGA
IASIIRPDLFQKIVMLSASPRFLNTADYLGGFEPADVEQLAGAIEANYKS
WVSGFAPMVVGGDMDSVAVQEFSRTLFNMRPDIARSVFRTIFTSDLRDYL
GRVTVPCHIIQSSRDMAVPVSVAGYIHNRVGGRSVVEVMNTEGHLPQLSA
PEVAIPVLLRHIKNDID

Ligand information

• Ligand ID: KKN
• InChI: InChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3
• InChIKey: JUTMAMXOAOYKHT-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.370
  OpenEye OEToolkits 1.7.6: CC1=C2C=COC=C2OC1=O
  ACDLabs 12.01: O=C2OC1=COC=CC1=C2C
• Formula: C8 H6 O3
• Name: 3-methyl-2H-furo[2,3-c]pyran-2-one;
  Karrikin KAR1
• ZINC: ZINC000004204274
• PDB chain: 5dnu Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5dnu Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): F26 F124 L142 F157 I193 F194 A219 H246
• Binding residue (residue number reindexed from 1): F24 F122 L140 F155 I191 F192 A217 H244
• Annotation score: 1
• Binding affinity: MOAD: Kd=77.6uM
  PDBbind-CN: -logKd/Ki=4.11,Kd=77.6uM

Enzymatic activity

• Catalytic site (original residue number in PDB): F26 S95 L96 R216 G245
• Catalytic site (residue number reindexed from 1): F24 S93 L94 R214 G243

Gene Ontology

Biological Process

• GO:0080167 response to karrikin

External links

• PDB: RCSB:5dnu, PDBe:5dnu, PDBj:5dnu
• PDBsum: 5dnu
• PubMed: 27507097
• UniProt: A0A0M3PN85