Structure of PDB 7r0u Chain B Binding Site BS02

Receptor Information

>7r0u Chain B (length=336) Species: 7165 (Anopheles gambiae)

PFPYSIDFVESKQNEQLLKDFHGERTGFVQVGEKRWFFPSRFKQYAESLY
SFEARPDDTWIVTYPRSGTTWSQEMVWLLCNELDFETAKSIPLTQRFPFL
EFHLFVHDEVKAEFLKENEHDVESMKFIEQLSQPAGFMLAEMKTPRFIKT
HLPISLLPPSVFEQKAKIIYVARNPSDVAVSYYHLNRLYRTQGYVGDFET
FYNYFEKDLTPWSPYWEHIKEGWAERDRENVLFMYYEDMKRNLPDTIRKT
AAFLGKSFSDDQIDTMCTHLDIRNFRHNKSVTCEELKAVGILNSGEQGFV
RNGQVRGNAEEMTDDIKRRLNEWTERNLNGTDIRFP

Ligand information

• Ligand ID: V55
• InChI: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
• InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: COc1cc(C=O)ccc1O
  OpenEye OEToolkits 1.5.0: COc1cc(ccc1O)C=O
  ACDLabs 10.04: O=Cc1cc(OC)c(O)cc1
• Formula: C8 H8 O3
• Name: 4-hydroxy-3-methoxybenzaldehyde;
  p-vanillin
• ChEMBL: CHEMBL13883
• ZINC: ZINC000002567933
• PDB chain: 7r0u Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7r0u Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): F100 F103 K150 H152 Y190 T192 W213 F300
• Binding residue (residue number reindexed from 1): F99 F102 K149 H151 Y189 T191 W212 F299
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008146 sulfotransferase activity
• GO:0016740 transferase activity

Biological Process

• GO:0051923 sulfation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7r0u, PDBe:7r0u, PDBj:7r0u
• PDBsum: 7r0u
• PubMed: 35941867
• UniProt: Q7PXJ0