Structure of PDB 7lnw Chain A Binding Site BS02

Receptor Information

>7lnw Chain A (length=256) Species: 1291540 (Methanomethylophilus alvi)

HMILIKLGGSVITDKSEYHKFNKETVSRLADEIRRSGQDVMVVHGAGSFG
HVIAKKYAIQDGHVDDGQIPAAARIMCDTRELSSMVVEELLAQGIPAVSV
APGSCFVMEDGKLIVDNEEPIRRLADLGIMPVMFGDVVPDRKKGFAAVSG
DQCMEVLCRMFDPEKVVFVSDIDGLYTADPKTDKKARLIGEVTRKKLDEA
LTDITVADGVHSKMEAMLRMTDRNRRCYLVNGNAPNRLYSLLKGETVTCT
VAKGGM

Ligand information

• Ligand ID: Y77
• InChI: InChI=1S/C6H13N3O4P/c1-6(2-4-8-9-7)3-5-13-14(10,11)12/h3,7H,2,4-5H2,1H3,(H2,10,11,12)/b6-3-
• InChIKey: SCRLLCVSAUXFQL-UTCJRWHESA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C/C(=C/COP(=O)(O)O)/CCN=[N]=N
  OpenEye OEToolkits 2.0.7: CC(=CCOP(=O)(O)O)CCN=[N]=N
  CACTVS 3.385: C\C(CCN=[N]=N)=C\CO[P](O)(O)=O
  CACTVS 3.385: CC(CCN=[N]=N)=CCO[P](O)(O)=O
• Formula: C6 H13 N3 O4 P
• Name: [(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate
• PDB chain: 7lnw Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7lnw Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
• Resolution: 2.29 Å
• Binding residue (original residue number in PDB): G44 A45 G49 H50 G134 D135 V147 S148
• Binding residue (residue number reindexed from 1): G45 A46 G50 H51 G135 D136 V148 S149
• 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:7lnw, PDBe:7lnw, PDBj:7lnw
• PDBsum: 7lnw
• PubMed: 34905349
• UniProt: M9SEQ1