Structure of PDB 3qhd Chain A

Receptor sequence
>3qhdA (length=159) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence]
MDFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDAL
FGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTI
IAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEA
QAAALVVRE
3D structure
PDB3qhd Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
ChainA
Resolution1.7 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 CTN A K106 L107 A108 A133 K134 T135 K106 L107 A108 A133 K134 T135
BS03 MSR A D10 H12 H44 F63 S64 D65 F70 D10 H12 H44 F63 S64 D65 F70
BS04 795 A F63 D67 R69 L78 R85 F63 D67 R69 L78 R85
BS05 CTN A D58 G60 D58 G60
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3qhd, PDBe:3qhd, PDBj:3qhd
PDBsum3qhd
PubMed21359640
UniProtQ3JRA0|ISPF_BURP1 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)

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