Structure of PDB 7vqc Chain B Binding Site BS01

Receptor Information

>7vqc Chain B (length=203) Species: 188937 (Methanosarcina acetivorans C2A)

PKFKRLPGHIAIIPDGNRRWALDRGLEKHEGYKHGIVPGLELYDICVKIG
IGEVTFFGFTQDNTKRPQIQRKAFVDACIKSVKELSKHDAELLVVGNTNS
DMFPKELLAYTKRTKFGKGKVRINFLVNYGWYWDLTYAFENIENIASAEI
PRIDLLIRWGGRRRLSGMLPVQTVYSDIYVVDEMWPDFKPEHLFNALEFY
QDQ

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 7vqc Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7vqc Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): D23 G24 N25 R26 R27 Y40 R177
• Binding residue (residue number reindexed from 1): D15 G16 N17 R18 R19 Y32 R162
• Annotation score: 5

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0045547 dehydrodolichyl diphosphate synthase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016094 polyprenol biosynthetic process

External links

• PDB: RCSB:7vqc, PDBe:7vqc, PDBj:7vqc
• PDBsum: 7vqc
• PubMed: 35764165
• UniProt: Q8TPS4