Structure of PDB 6os5 Chain B Binding Site BS02

Receptor Information

>6os5 Chain B (length=354) Species: 391037 (Salinispora arenicola CNS-205)

ELTTVRDACARTLENTARTLHLGASGTEFVAAFRAMTDHWGAARPHDLPL
SDVSPDGSPVEYAVDLGGLAPALQFAMEPLTAGVPARDPLAARAIMPLLA
GRYGADATRWSALADRLLPDDAHGPHVSMYGAEVRAGAPIRFKAWFYLNV
TGPDGAFNLLYSALERMGTTHLWPVVQAHVHRAGEDVPFLLSLDLSDDPA
ARVKVYFRHFAADVEEVAAVLKAYPGFEPGEVRAFCKVMMGGRRRFSDQP
AVTCVSLLDAQTFDRTAATLYVPLWTYAEHDGEVRQRVHRTLAAWPEALY
RYDSVLAGIAHRGLDAGTGIHNYISWQPGRTRPRMKVYLSPEMHDVTPPP
LGVS

Ligand information

• Ligand ID: DPO
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-J
• SMILES:
  CACTVS 3.370: [O-][P]([O-])(=O)O[P]([O-])([O-])=O
  OpenEye OEToolkits 1.7.2: [O-]P(=O)([O-])OP(=O)([O-])[O-]
  ACDLabs 12.01: [O-]P([O-])(=O)OP([O-])([O-])=O
• Formula: O7 P2
• Name: DIPHOSPHATE
• PDB chain: 6os5 Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6os5 Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
• Resolution: 1.66 Å
• Binding residue (original residue number in PDB): Q77 R205 K207 Y209 Y274 R337 K339 Y341
• Binding residue (residue number reindexed from 1): Q74 R202 K204 Y206 Y271 R334 K336 Y338
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0046872 metal ion binding

Biological Process

• GO:0009820 alkaloid metabolic process

External links

• PDB: RCSB:6os5, PDBe:6os5, PDBj:6os5
• PDBsum: 6os5
• PubMed: 31251043
• UniProt: A8M6W6