Structure of PDB 2rau Chain A Binding Site BS01

Receptor Information
>2rau Chain A (length=350) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YEEWKIVKREAPILGNDQLIENIWKMKREDSPYDIISLHKVNLIGGGNDA
VLILPGTWSSGEQLVTISWNGVHYTIPDYRKSIVLYLARNGFNVYTIDYR
THYVPPFLKDRQLSFTANWGWSTWISDIKEVVSFIKRDSGQERIYLAGES
FGGIAALNYSSLYWKNDIKGLILLDGGPTKHGIRFYTPEVNSIEEMEAKG
IYVIPSRGGPNNPIWSYALANPDMPSPDPKYKSISDFLMDSLYVTGSANP
YDYPYSKKEDMFPILASFDPYWPYRLSLERDLKFDYEGILVPTIAFVSER
FGIQIFDSKILPSNSEIILLKGYGHLDVYTGENSEKDVNSVVLKWLSQQR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2rau Chain A Residue 354 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rau Crystal structure of a putative lipase (NP_343859.1) from Sulfolobus solfataricus at 1.85 A resolution
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N215 P216 I217
Binding residue
(residue number reindexed from 1)		N212 P213 I214
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016298 lipase activity
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:2rau, PDBe:2rau, PDBj:2rau
PDBsum2rau
PubMed
UniProtQ97VU1

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