Structure of PDB 2hke Chain B Binding Site BS02

Receptor Information
>2hke Chain B (length=376) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QCVTVEAPINIAFIKYWGKREGGETLILPTNDSFSITLSASPFRSKTSVE
LRDDIETDTLRLNGTEVDVGKTPRVQSMLLHLRSTCPEELKNKKVNIVSE
NNFPTAAGMASSASGYCAMSAALIRAFKSTTNVSMLARLGSGSACRSAFG
GFVIWNKGEKPDGSDCVATQFVDETHWPEIQVMCAVLKGAQKDVSSTKGM
QQSLKTSPLMKKRISETVPERMKIASRAIKARDFATFAEIAMLESDDLQE
ICATTEPKITYATEDSYAMIRLVKAYNAKKGRTALAYTFDAGANCFLFVL
KEDLPEAVAMLMEHFPTPFEKFFFGDRELLEKVKVVSLPDEYKKLIDHPK
KPFEMLLQSPVGCGVKYLGPSESLIP
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain2hke Chain B Residue 382 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hke Crystal Structures of Trypanosoma brucei and Staphylococcus aureus Mevalonate Diphosphate Decarboxylase Inform on the Determinants of Specificity and Reactivity
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R274 D350
Binding residue
(residue number reindexed from 1)		R271 D347
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.33: diphosphomevalonate decarboxylase.
Gene Ontology
Molecular Function
GO:0004163 diphosphomevalonate decarboxylase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016829 lyase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0006695 cholesterol biosynthetic process
GO:0008299 isoprenoid biosynthetic process
GO:0016310 phosphorylation
GO:0019287 isopentenyl diphosphate biosynthetic process, mevalonate pathway
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005929 cilium

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hke, PDBe:2hke, PDBj:2hke
PDBsum2hke
PubMed17583736
UniProtQ388P2

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