Structure of PDB 8a74 Chain B Binding Site BS03

Receptor Information

>8a74 Chain B (length=319) Species: 80249 (Phaedon cochleariae)

SKEESREFMAIFPDIVRDLTDATDIPEVTKRFAKVLQYNVPTGKKTRGLS
TVIAYKMLEKPENLTPENVRLAGILGWCVELLQASLLIMDDLMDRSETRR
LAINDCLHVESSLYSVLRKYFSHLPCYVPIIELFHDVNFKTNMGQSLDAL
CMKDGRPILSQFTMKRYSSIVKYKTSYYTFQLPVSLGMYLADMYDPEQHR
QAKTILMEIGEFAQIQDDFLDAFGDVGTDIKEGKCSWLAVVALQRSNPAQ
RQIMEEHYGRPEPESTQIIKNLYIELGLPATFAVYEEESFNIIRTHIHQI
SKGLPHDLFFKIMKKIYKR

Ligand information

• Ligand ID: GPP
• InChI: InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
• InChIKey: GVVPGTZRZFNKDS-JXMROGBWSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C
  OpenEye OEToolkits 1.5.0: CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C
  CACTVS 3.341: CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O
  CACTVS 3.341: CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
  ACDLabs 10.04: O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O)(O)O
• Formula: C10 H20 O7 P2
• Name: GERANYL DIPHOSPHATE
• ChEMBL: CHEMBL41342
• DrugBank: DB02552
• ZINC: ZINC000008215849
• PDB chain: 8a74 Chain B Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8a74 Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): L175 D179 R188 T243 Q247 K276 Y280 K342
• Binding residue (residue number reindexed from 1): L86 D90 R99 T141 Q145 K174 Y178 K234
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 2.5.1.1: dimethylallyltranstransferase.

Gene Ontology

Molecular Function

• GO:0004659 prenyltransferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

Biological Process

• GO:0008299 isoprenoid biosynthetic process

External links

• PDB: RCSB:8a74, PDBe:8a74, PDBj:8a74
• PDBsum: 8a74
• PubMed: 37308711
• UniProt: M1JS91