Structure of PDB 8xhu Chain B

Receptor sequence

>8xhuB (length=351) Species: 85962 (Helicobacter pylori 26695)

HHIKQTSVVLLAAGQTIKKQWLRSNHTPLWLSVYESFKEALDFKEIILVV
SELDYIYIKRHYPEIKLVKGGASRQESVRNALKIIDSAYTLTSDVARGLA
NIEALKNLFLTLQQTSHYCIAPYLPCYDTAIYYNEALDREAIKLIQTPQL
SHTKALQSALNQGDFKDESSAILQAFPDRVSYIEFFNPAKDTFIGMGFDT
HAFIKDKPMVLGGVVLDCEFGLKAHSDGDALLHAVIDAILGAIKGGDIGE
WFPDNDPKYKNASSKELLKIVLDFSQSIGFELFEMGATIFSEIPKITPYK
PAILENLSQLLGLEKSQISLKATTMEKMGFIGKQEGLLVQAHVSMRYKQK
L

3D structure

• PDB: 8xhu Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
• Chain: B
• Resolution: 2.4 Å

Enzymatic activity

• Enzyme Commision number: 2.7.7.60: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase.
  4.6.1.12: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	B	D254 H256 H288	D199 H201 H233

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008685 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
• GO:0016779 nucleotidyltransferase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding
• GO:0050518 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase activity
• GO:0070567 cytidylyltransferase activity

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0016114 terpenoid biosynthetic process
• GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway

External links

• PDB: RCSB:8xhu, PDBe:8xhu, PDBj:8xhu
• PDBsum: 8xhu
• PubMed: 38537721
• UniProt: O25664|ISPDF_HELPY Bifunctional enzyme IspD/IspF (Gene Name=ispDF)