Structure of PDB 8k9r Chain A Binding Site BS03 |
| >8k9r Chain A (length=958) Species: 759272 (Thermochaetoides thermophila DSM 1495)
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PWRSPWAISVFAFVTSLLGIGLLLAVIHSSVTRQIDPKGCRMSYMRPSYA
KLSDFDTEHTRLASKYSLYLYREQGIDHDVKVRGVPVLFIPGNAGSYKQV
RPIAAEAANYFHDVLQHDEAALRAGVRSLDFFTVDFNEDITAFHGQTLLD
QAEYLNEAIRYILSLYLDPRVSERDPDLPDPTSVIVLGHSMGGIVARTML
IMPNYQHNSINTIITMSAPHARPPVSFDGQIVQTYKDINNYWRHAYSQKW
ANDNPLWHVTLVSIAGGGLDTVVPSDYASIESLVPDTHGFTVFTSTIPNV
WTSMDNQAILWCDQFRKVIIRALFDIVDVHRASQTKPRAQRMRVFKKWFL
SGMETVAEKIAPTSDPTTLLIVDDKSDSITAEGERLVLRELGTQGSVRAH
LMPIPPPGSPELKRFTLLTDTKLDKPGENGKLEVMFCSVIPSQPNPTGPA
IPSQLDLSKGNAGTTRLACTNVAPDVITLPASTRFARFPFSVRKEAEIPP
FSYLEYVLDDISEHQFVAVIEKATIPTPGFVIAEFSDHSNSHHTRHIGLR
NLLTFGISLRLPSNRPMMSEVRIPSVKSSLLAYNLRISALECSGRKDLFA
PLVRQYLAEPYESKYFVNARQAAVSLHGVAPYVPPPMSREPEAEGLAFQL
WTDPTCNSSIQVDLTVDVMGSLGKLYMRYRTVFAAFPLFIVSLVLRKQFQ
VYDSTGSFITFAEGLDLSLRQSIPVMLIVLAALTLSTNFHQNDLLIGTQD
PFFLFLIPLIGIICVGVCTVVNYIALSLTRLISVVISFIGFLTVRFGTAV
LLFLVSTMIPYQLAYLVACLVQLGTLVRAQRISSELRSPANSNFHNYVHS
IFILMLWILPINLPTLVVWMHNLSVHWLTPFTSHHNVFSIMPFILLVETH
TTGQMIPRTCCVLLRHITSILLLSLALYAAVYGVSYAYTLHQFVNLFAFW
LVMVHSTA |
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| Ligand ID | 05E |
| InChI | InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)18-7-6(12)5(11)4(3-10)17-8(7)13/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1 |
| InChIKey | AMJFTSXJOORFJX-HEIBUPTGSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | NCCO[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O | | CACTVS 3.385 | NCCO[P](O)(=O)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 2.0.7 | C(COP(=O)(O)OC1C(C(C(OC1O)CO)O)O)N | | OpenEye OEToolkits 2.0.7 | C(COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N |
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| Formula | C8 H18 N O9 P |
| Name | 2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8k9r Chain A Residue 1503
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