Structure of PDB 8u0l Chain A Binding Site BS02

Receptor Information

>8u0l Chain A (length=247) Species: 582419 (Thermococcus paralvinellae)

HMIIIKLGGSVISDYSFHRHIVEQIAEEIAQFYPDESFILVHGGGSFGHP
NAREYKITEGLVGDVDRKRIGFSKTHQAMLKLNDLIIQTFLEKGLPAYSV
SSSSIFLLENKEVVYGELEILRKLLELKFIPVLFGDTAIALDKGIDILSG
DQIVSYLAKMLKPSKVIFLMDVDGIYDRNPKERDAKLIEELNVEEIRHLL
ESIGNKLREALKIAKHSEVYFINGKVKENLGKAIRGEKVGTRLRKLE

Ligand information

• Ligand ID: U4R
• InChI: InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+
• InChIKey: KCUTZTDKOSEILP-NSCUHMNNSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC=CCOP(=O)(O)O
  ACDLabs 12.01: O=P(O)(O)OC\C=C\C
  CACTVS 3.385: C/C=C/CO[P](O)(O)=O
  OpenEye OEToolkits 2.0.7: C/C=C/COP(=O)(O)O
  CACTVS 3.385: CC=CCO[P](O)(O)=O
• Formula: C4 H9 O4 P
• Name: (2E)-but-2-en-1-yl dihydrogen phosphate
• PDB chain: 8u0l Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8u0l Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): G47 G51 G138 I150
• Binding residue (residue number reindexed from 1): G44 G48 G135 I147
• Annotation score: 1

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:8u0l, PDBe:8u0l, PDBj:8u0l
• PDBsum: 8u0l
• PubMed: 38333996
• UniProt: W0I5G2