Structure of PDB 3ott Chain A Binding Site BS01

Receptor Information
>3ott Chain A (length=737) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQQFDNIYLGAEASVVSCFLQDSEGLIWIGSNKGLFSYDGYSTQQHFTYG
ENNNTRIYCGVIIDNTYLYMGTDNGILVYNYRADRYEQPETDFPTDVRTM
ALQGDTLWLGALNGLYTYQLQSRKLTSFDTRRNGLPNNTIYSIIRTKDNQ
IYVGTYNGLCRYIPSNGKFEGIPLPVHSSQSNLFVNSLLEDTTRQCVWIG
TEGYLFQYFPSTGQIKQTEAFHNNSIKSLALDGNGDLLAGTDNGLYVYHN
DTTPLQHIIHDSRNIQSLTNNIIWNIFADQEHNIWLGTDYGISLSRYNSL
QFIPISQITGTGDGNQFYSLFRDSKGFYWFGGANGLIRFTDPAGERHDAI
WYRMGDKTYPLSHNRIRHIYEDKEQQLWIATDGSINRYDYATRQFIHYNI
VDNTYNTNWTYYIFEDTAGQLWISTCLGGIFVVDKHKLMQSTSGQYIAEQ
NYSVHNGLSGMFINQIIPDNEGNVWVLLYNNKGIDKINPRTREVTKLFAD
ELTGEKSPNYLLCDEDGLLWVGFHGGVMRINPESQQSISFGSNEILSMTC
VKNSIWVSTTNGLWIIDRKTMDARQQTNKRFTSLLFDPKEDCVYLGGADG
FGISHSATYQPERPILLTALYINNQLVSPRTRDDVPNIRYTNSIKLKYDQ
NNLSFELSDLPYSLDEKNKFVYRLEGMDKEWNFLKSNINRITYSNLSYGN
YQLIISKLERDGQPSNRPHILNIRILPPWLEHHHHHH
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 chain3ott Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ott Crystal structures of apparent saccharide sensors from histidine kinase receptors prevalent in a human gut symbiont.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S58 E59 Q315
Binding residue
(residue number reindexed from 1)		S23 E24 Q280
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
External links