Structure of PDB 7vwt Chain B Binding Site BS01

Receptor Information

>7vwt Chain B (length=317) Species: 1931 (Streptomyces sp.)

PSTVQELDLAGITDSGLRADYIASSQLFRKIGRGRFLGRYMMHPAKRPYF
DTFFSFVCYIDDLADDINLSVDVRARRLDEWQRTYLAIAKQTDAALARAL
VHTLRTWDLPYLRVPEFVDGHRKALTTYEYADQEELDDFLETVTLLPAIW
INQIFEPISEDAEELCRHTITAFQLLDFIWDLREDLDLGRLYLPLDHLAR
FGLTRADLDRQIGSGYISDALRELIQFEIDIAREHMNAGRSWPQTLHPTA
RIFMETDIQTHDSMFPEMIKDDYAFFKSPLDFVSGRMIPRTAKAIARARK
ANQQATRAGYRIRPPYR

Ligand information

• Ligand ID: AO6
• InChI: InChI=1S/C16H15NO3/c1-8(18)7-11-9(2)15(19)16(20)13-10-5-3-4-6-12(10)17-14(11)13/h3-6,8,17-18H,7H2,1-2H3/t8-/m1/s1
• InChIKey: HADDOKGXXGGODW-MRVPVSSYSA-N
• SMILES:
  CACTVS 3.385: C[C@@H](O)CC1=C(C)C(=O)C(=O)c2c1[nH]c3ccccc23
  CACTVS 3.385: C[CH](O)CC1=C(C)C(=O)C(=O)c2c1[nH]c3ccccc23
  OpenEye OEToolkits 2.0.6: CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O
  OpenEye OEToolkits 2.0.6: CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)CC(C)O
• Formula: C16 H15 N O3
• Name: 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione
• PDB chain: 7vwt Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7vwt Structural Basis for the Prenylation Reaction of Carbazole-Containing Natural Products Catalyzed by Squalene Synthase-Like Enzymes.
• Resolution: 1.73 Å
• Binding residue (original residue number in PDB): F35 P157 I180 F183 Q184 F263 D267
• Binding residue (residue number reindexed from 1): F36 P147 I170 F173 Q174 F253 D257
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016767 geranylgeranyl-diphosphate geranylgeranyltransferase activity

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0009058 biosynthetic process

External links

• PDB: RCSB:7vwt, PDBe:7vwt, PDBj:7vwt
• PDBsum: 7vwt
• PubMed: 35235232
• UniProt: A0A5A4PXR6