Structure of PDB 8a78 Chain A Binding Site BS03

Receptor Information

>8a78 Chain A (length=335) Species: 80249 (Phaedon cochleariae)

SKEESREFMAIFPDIVRDLTDAHTDIPEVTKRFAKVLQYNVPTGKKTRGL
STVIAYKMLEKPENLTPENVRLAGILGWCVELLQASLLIMDDLMDRSETR
RGQPCWYRQENVGFLAINDCLHVESSLYSVLRKYFSHLPCYVPIIELFHD
VNFKTNMGQSLDALCMKDGRPILSQFTMKRYSSIVKYKTSYYTFQLPVSL
GMYLADMYDPEQHRQAKTILMEIGEFAQIQDDFLDAFGDSKVGTDIKEGK
CSWLAVVALQRSNPAQRQIMEEHYGRPEPESTQIIKNLYIELGLPATFAV
YEEESFNIIRTHIHQISKGLPHDLFFKIMKKIYKR

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 8a78 Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8a78 Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): K133 T135 R136
• Binding residue (residue number reindexed from 1): K45 T47 R48
• 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:8a78, PDBe:8a78, PDBj:8a78
• PDBsum: 8a78
• PubMed: 37308711
• UniProt: M1JS91