Structure of PDB 8u0k Chain A Binding Site BS02

Receptor Information

>8u0k Chain A (length=247) Species: 582419 (Thermococcus paralvinellae)

HMIIIKLGGSVISDYSFHRHIVEQIAEEIAQFYPDESFILVHGGGSFGHP
NAREYKITEGLVGDVDRKRIGFSKTHQAMLKLNDLIIQTFLEKGLPAYSV
SSSSIFLLENKEVVYGELEILRKLLELKFIPVLFGDTAIALDKGIDILSG
DQIVSYLAKMLKPSKVIFLMDVDGIYDRNPKERDAKLIEELNVEEIRHLL
ESIGNKLREALKIAKHSEVYFINGKVKENLGKAIRGEKVGTRLRKLE

Ligand information

• Ligand ID: 4LR
• InChI: InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)
• InChIKey: MQCJHQBRIPSIKA-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: CC(=CCOP(=O)(O)O)C
  CACTVS 3.385: CC(C)=CCO[P](O)(O)=O
  ACDLabs 12.01: OP(OC\C=C(\C)C)(O)=O
• Formula: C5 H11 O4 P
• Name: Dimethylallyl monophosphate
• ChEMBL: CHEMBL144874
• ZINC: ZINC000002526571
• PDB chain: 8u0k Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8u0k Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): G47 H52 G138 I150 S152 G153
• Binding residue (residue number reindexed from 1): G44 H49 G135 I147 S149 G150
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.7.4.26: isopentenyl phosphate kinase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0102043 isopentenyl phosphate kinase activity

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:8u0k, PDBe:8u0k, PDBj:8u0k
• PDBsum: 8u0k
• PubMed: 38333996
• UniProt: W0I5G2