Structure of PDB 3en9 Chain B Binding Site BS02

Receptor Information
>3en9 Chain B (length=511) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPMICLGLEGTAEKTGVGIVTSDGEVLFNKTIMYKPGINPREAADHHAET
FPKLIKEAFEVVDKNEIDLIAFSQGPGLGPSLRVTATVARTLSLTLKKPI
IGVNHCIAHIEIGKLTTEAEDPLTLYVSGGNTQVIAYVSKKYRVFGETLD
IAVGNCLDQFARYVNLPHPGGPYIEELARKGKKLVDLPYTVKGMDIAFSG
LLTAAMRAYDAGERLEDICYSLQEYAFSMLTEITERALAHTNKGEVMLVG
GVAANNRLREMLKAMCEGQNVDFYVPPKEFCGDNGAMIAWLGLLMHKNGR
WMSLDETKIIPNYRTDMVEVNWIGAEADIKRDSYLDFDVIIKERVKKGYR
DERLDENIRKSRTAREARYLALVKDFGIPAPYIFDVDLDNKRIMMSYING
KLAKDVIEDNLDIAYKIGEIVGKLHKNDVIHNDLTTSNFIFDKDLYIIDF
GLGKISNLDEDKAVDLIVFKKAVLSTHHEKFDEIWERFLEGYKSVYDRWE
IILELMKDVER
Ligand information
Ligand IDTBR
InChIInChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1
InChIKeyYWYIQTPPCOBSGN-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6
CACTVS 3.370Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[Ta]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|%17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%17)|Br%10
FormulaBr12 Ta6
NameHEXATANTALUM DODECABROMIDE;
DODECABROMOHEXATANTALUM
ChEMBL
DrugBankDB04119
ZINC
PDB chain3en9 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3en9 Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Resolution2.67 Å
Binding residue
(original residue number in PDB)		P0 D21 E23
Binding residue
(residue number reindexed from 1)		P2 D23 E25
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.234: N(6)-L-threonylcarbamoyladenine synthase.
2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004712 protein serine/threonine/tyrosine kinase activity
GO:0005506 iron ion binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0044024 histone H2AS1 kinase activity
GO:0046872 metal ion binding
GO:0061711 N(6)-L-threonylcarbamoyladenine synthase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0002949 tRNA threonylcarbamoyladenosine modification
GO:0006338 chromatin remodeling
GO:0006400 tRNA modification
GO:0006468 protein phosphorylation
GO:0008033 tRNA processing
GO:0016310 phosphorylation
GO:0070525 tRNA threonylcarbamoyladenosine metabolic process
Cellular Component
GO:0000408 EKC/KEOPS complex
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3en9, PDBe:3en9, PDBj:3en9
PDBsum3en9
PubMed18951093
UniProtQ58530|KAE1B_METJA Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein (Gene Name=MJ1130)

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