Structure of PDB 7lnx Chain A Binding Site BS02

Receptor Information

>7lnx Chain A (length=234) Species: 1291540 (Methanomethylophilus alvi)

MILIKLGGSVITDKSEYHKFNKETVSRLADEIRRSGQDVMVVHGAGSFGH
VIAKKYAIQDGHVDDGQIPAAARIMCDTRELSSMVVEELLAQGIPAVSVA
PGSCFVMEDGKLIVDNEEPIRRLADLGIMPVMFGDVVPDRKKGFAAVSGD
QCMEVLCRMFDPEKVVFVSDIDGLYTADPKTDKKARLIGEVTREAMLRMT
DRNRRCYLVNGNAPNRLYSLLKGETVTCTVAKGG

Ligand information

• Ligand ID: Y7D
• InChI: InChI=1S/C8H18O7P2/c1-3-4-5-8(2)6-7-14-17(12,13)15-16(9,10)11/h6H,3-5,7H2,1-2H3,(H,12,13)(H2,9,10,11)/b8-6-
• InChIKey: UIWSLTUOMNESGZ-VURMDHGXSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CCCCC(=CCOP(=O)(O)OP(=O)(O)O)C
  OpenEye OEToolkits 2.0.7: CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C
  CACTVS 3.385: CCCCC(/C)=C\CO[P](O)(=O)O[P](O)(O)=O
  CACTVS 3.385: CCCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
  ACDLabs 12.01: O=P(O)(O)OP(O)(=O)OC\C=C(\C)CCCC
• Formula: C8 H18 O7 P2
• Name: (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate
• PDB chain: 7lnx Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7lnx Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): G8 K14 G44 A45 G46 G49 H50 G134 D135 A146 S148 G149
• Binding residue (residue number reindexed from 1): G8 K14 G44 A45 G46 G49 H50 G134 D135 A146 S148 G149
• 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:0005829 cytosol

External links

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