Structure of PDB 7lnx Chain B Binding Site BS02

Receptor Information

>7lnx Chain B (length=247) Species: 1291540 (Methanomethylophilus alvi)

PRGSHMILIKLGGSVITDKSEYHKFNKETVSRLADEIRRSGQDVMVVHGA
GSFGHVIAKKYAIQDGHVDDGQIPAAARIMCDTRELSSMVVEELLAQGIP
AVSVAPGSCFVMEDGKLIVDNEEPIRRLADLGIMPVMFGDVVPDRKKGFA
AVSGDQCMEVLCRMFDPEKVVFVSDIDGLYTADPKTDKKARLIGEVTRKG
VHSKMEAMLRMTDRNRRCYLVNGNAPNRLYSLLKGETVTCTVAKGGM

Ligand information

• Ligand ID: WOG
• InChI: InChI=1S/C8H17O4P/c1-3-4-5-8(2)6-7-12-13(9,10)11/h6H,3-5,7H2,1-2H3,(H2,9,10,11)/b8-6+
• InChIKey: QMNGGLZLXZOOFN-SOFGYWHQSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CCCCC(=CCOP(=O)(O)O)C
  CACTVS 3.385: CCCCC(C)=CCO[P](O)(O)=O
  ACDLabs 12.01: OP(O)(=O)OC\C=C(/C)CCCC
  OpenEye OEToolkits 2.0.7: CCCC/C(=C/COP(=O)(O)O)/C
  CACTVS 3.385: CCCCC(/C)=C/CO[P](O)(O)=O
• Formula: C8 H17 O4 P
• Name: (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate
• PDB chain: 7lnx Chain B Residue 303

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): A45 G49 H50 A53 D135 V136 A146 G149
• Binding residue (residue number reindexed from 1): A50 G54 H55 A58 D140 V141 A151 G154
• 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:0005829 cytosol

External links

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