Structure of PDB 7lnu Chain A Binding Site BS01

Receptor Information

>7lnu Chain A (length=239) Species: 1291540 (Methanomethylophilus alvi)

SHMILIKLGGSVITDKSEYHKFNKETVSRLADEIRRSGQDVMVVHGAGSF
GHVIAKKYAIQDGHVDDGQIPAAARIMCDTRELSSMVVEELLAQGIPAVS
VAPGSCFVMEDGKLIVDNEEPIRRLADLGIMPVMFGDVVPDRKKGFAIVS
GDQCMEVLCRMFDPEKVVFVSDIDGLYTADPKTDKKARLIGEVTSKMEAM
LRMTDRNRRCYLVNGNAPNRLYSLLKGETVTCTVAKGGM

Ligand information

• Ligand ID: IP8
• InChI: InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
• InChIKey: QMZRXYCCCYYMHF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=P(OCCC(=C)\C)(O)O
  OpenEye OEToolkits 1.7.6: CC(=C)CCOP(=O)(O)O
  CACTVS 3.370: CC(=C)CCO[P](O)(O)=O
• Formula: C5 H11 O4 P
• Name: Isopentenyl phosphate;
  3-methylbut-3-en-1-yl dihydrogen phosphate
• ChEMBL: CHEMBL342070
• ZINC: ZINC000002557111
• PDB chain: 7lnu Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7lnu Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): G44 A45 G49 H50 G134 I146 S148 G149
• Binding residue (residue number reindexed from 1): G46 A47 G51 H52 G136 I148 S150 G151
• Annotation score: 5

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:0005829 cytosol

External links

• PDB: RCSB:7lnu, PDBe:7lnu, PDBj:7lnu
• PDBsum: 7lnu
• PubMed: 34905349
• UniProt: M9SEQ1