Structure of PDB 3ieq Chain A Binding Site BS02
Receptor Information
>3ieq Chain A (length=158) Species:
28450
(Burkholderia pseudomallei) [
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MDFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDAL
FGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTI
IAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEA
QAAALVVR
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
3ieq Chain A Residue 163 [
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Receptor-Ligand Complex Structure
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PDB
3ieq
Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
D10 H12 H44
Binding residue
(residue number reindexed from 1)
D10 H12 H44
Annotation score
1
Enzymatic activity
Enzyme Commision number
4.6.1.12
: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase.
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:3ieq
,
PDBe:3ieq
,
PDBj:3ieq
PDBsum
3ieq
PubMed
21359640
UniProt
Q3JRA0
|ISPF_BURP1 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)
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