Structure of PDB 3q8h Chain A

Receptor sequence
>3q8hA (length=151) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence]
MDFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDAL
FGAAALGDIGRHFSADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLA
PHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
E
3D structure
PDB3q8h Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
ChainA
Resolution1.75 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 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 A D10 H12 H44 D10 H12 H44
BS02 AO9 A H36 D58 I59 G60 F63 H36 D58 I59 G60 F63 PDBbind-CN: -logKd/Ki=4.15,Kd=70uM
BS03 AO9 A L107 A108 A133 L99 A100 A125 PDBbind-CN: -logKd/Ki=4.15,Kd=70uM
Gene Ontology
Molecular Function
GO:0008685 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0016114 terpenoid biosynthetic process
GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:3q8h, PDBe:3q8h, PDBj:3q8h
PDBsum3q8h
PubMed24157367
UniProtQ63T71|ISPF_BURPS 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)

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