Structure of PDB 2hke Chain B Binding Site BS01

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 381 [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)		Y19 K22 R77 S144 G145 T200
Binding residue
(residue number reindexed from 1)		Y16 K19 R74 S141 G142 T197
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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