Structure of PDB 8k9r Chain A Binding Site BS04

Receptor Information
>8k9r Chain A (length=958) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PWRSPWAISVFAFVTSLLGIGLLLAVIHSSVTRQIDPKGCRMSYMRPSYA
KLSDFDTEHTRLASKYSLYLYREQGIDHDVKVRGVPVLFIPGNAGSYKQV
RPIAAEAANYFHDVLQHDEAALRAGVRSLDFFTVDFNEDITAFHGQTLLD
QAEYLNEAIRYILSLYLDPRVSERDPDLPDPTSVIVLGHSMGGIVARTML
IMPNYQHNSINTIITMSAPHARPPVSFDGQIVQTYKDINNYWRHAYSQKW
ANDNPLWHVTLVSIAGGGLDTVVPSDYASIESLVPDTHGFTVFTSTIPNV
WTSMDNQAILWCDQFRKVIIRALFDIVDVHRASQTKPRAQRMRVFKKWFL
SGMETVAEKIAPTSDPTTLLIVDDKSDSITAEGERLVLRELGTQGSVRAH
LMPIPPPGSPELKRFTLLTDTKLDKPGENGKLEVMFCSVIPSQPNPTGPA
IPSQLDLSKGNAGTTRLACTNVAPDVITLPASTRFARFPFSVRKEAEIPP
FSYLEYVLDDISEHQFVAVIEKATIPTPGFVIAEFSDHSNSHHTRHIGLR
NLLTFGISLRLPSNRPMMSEVRIPSVKSSLLAYNLRISALECSGRKDLFA
PLVRQYLAEPYESKYFVNARQAAVSLHGVAPYVPPPMSREPEAEGLAFQL
WTDPTCNSSIQVDLTVDVMGSLGKLYMRYRTVFAAFPLFIVSLVLRKQFQ
VYDSTGSFITFAEGLDLSLRQSIPVMLIVLAALTLSTNFHQNDLLIGTQD
PFFLFLIPLIGIICVGVCTVVNYIALSLTRLISVVISFIGFLTVRFGTAV
LLFLVSTMIPYQLAYLVACLVQLGTLVRAQRISSELRSPANSNFHNYVHS
IFILMLWILPINLPTLVVWMHNLSVHWLTPFTSHHNVFSIMPFILLVETH
TTGQMIPRTCCVLLRHITSILLLSLALYAAVYGVSYAYTLHQFVNLFAFW
LVMVHSTA
Ligand information
Ligand IDPA1
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1
InChIKeyMSWZFWKMSRAUBD-UKFBFLRUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
CACTVS 3.341N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)N)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1N)CO
FormulaC6 H13 N O5
Name2-amino-2-deoxy-alpha-D-glucopyranose;
alpah-D-glucosamine;
2-amino-2-deoxy-alpha-D-glucose;
2-amino-2-deoxy-D-glucose;
2-amino-2-deoxy-glucose
ChEMBLCHEMBL606759
DrugBank
ZINCZINC000003860469
PDB chain8k9r Chain A Residue 1504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8k9r CryoEM Structure of GLE1-prodH
Resolution2.68 Å
Binding residue
(original residue number in PDB)		A231 E275 Q444
Binding residue
(residue number reindexed from 1)		A94 E138 Q307
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0050185 phosphatidylinositol deacylase activity
Biological Process
GO:0006505 GPI anchor metabolic process
GO:0006888 endoplasmic reticulum to Golgi vesicle-mediated transport
GO:0008218 bioluminescence
GO:0015031 protein transport
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8k9r, PDBe:8k9r, PDBj:8k9r
PDBsum8k9r
PubMed38167496
UniProtG0S652

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