Structure of PDB 6nmo Chain A Binding Site BS02

Receptor Information
>6nmo Chain A (length=159) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDAL
FGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTI
IAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEA
QAAALVVRE
Ligand information
Ligand IDQMS
InChIInChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3
InChIKeyXYEPUTZVZYUENX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S](=O)(=O)Nc1cccc2cccnc12
OpenEye OEToolkits 1.5.0CS(=O)(=O)Nc1cccc2c1nccc2
ACDLabs 10.04O=S(=O)(Nc1cccc2cccnc12)C
FormulaC10 H10 N2 O2 S
NameN-(QUINOLIN-8-YL)METHANESULFONAMIDE
ChEMBLCHEMBL1235568
DrugBankDB08451
ZINCZINC000000287668
PDB chain6nmo Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nmo Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		K134 E137
Binding residue
(residue number reindexed from 1)		K134 E137
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6nmo, PDBe:6nmo, PDBj:6nmo
PDBsum6nmo
PubMed
UniProtQ3JRA0|ISPF_BURP1 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)

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