Structure of PDB 8tki Chain B Binding Site BS02 |
>8tki Chain B (length=2268) Species: 9606 (Homo sapiens)
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SSFLHIGDIVSLYAEGSVNGFISTLGLVDDRCVVEPAAGDLDNPPKKFRD CLFKVCPMNRYSAQKQYWKAKQTDVVLLQKLQHAAQMEQKQNDTENKKVH GDVVKYGSVIQLLHMKSNKYLTVNKRLPALLEKNAMRVTLDATGNEGSWL FIQPFWKLRSNGDNVVVGDKVILNPVNAGQPLHASNYELSDNAGCKEVNS VNCNTSWKINLFMQFRDHLEEVLKGGDVVRLFHAEQEKFLTCDEYKGKLQ VFLRTTLRQSATSATSSNALWEVEVVHHDPCRGGAGHWNGLYRFKHLATG NYLAAEENPSIKYCLVAVPHGNDIASLFELDPTTLQKTDSFVPRNSYVRL RHLCTNTWIQSTNVPIDIEEERPIRLMLGTCPTKEDKEAFAIVSVPVSEI RDLDFANDASSMLASAVEKLNEGFISQNDRRFVIQLLEDLVFFVSDVPNN GQNVLDIMVTKPNRERQKLMREQNILKQVFGILKAPFRPLVRLEELSDQK NAPYQHMFRLCYRVLRHSQEDYRKNQEHIAKQFGMMQSQIGYDILAEDTI TALLHNNRKLLEKHITKTEVETFVSLVRKNREPRFLDYLSDLCVSNHIAI PVTQELICKCVLDPKNSDILIRTELRPVEEEVWLTWTDKNNEHHEKSVRQ LAQEARAGNAHDENVLSYYRYQLKLFARMCLDRQYLAIDEISQQLGVDLI FLCMADEMLPFDLRASFCHLMLHVHVDRDPQELVTPVKFARLWTEIPTAI TIKDYDSNLNASRDDKKNKFANTMEFVEDYLNNVVSEAVPFANEEKNKLT FEVVSLAHNLIYFGFYSFSELLRLTRTLLGIIDCVTMVLSRKQSVFSAPS LSAENEDIVVMETKLKILEILQFILNVRLDYRISYLLSVFKKEFVEVFPN MNLDRIGEQAEAMFGVGKTSSMLEVDDEGGRMFLRVLIHLTMHDYAPLVS GALQLLFKHFSQRQEAMHTFKQVQLLISAQDVENYKVIKSELDRLRTMVE KSELWVSENYQIVKGILERLNKMCGVGEQMRKKQQRLLKNMDAHKVMLDL LQIPYDKGDAKMMEILRYTHQFLQKFCAGNPGNQALLHKHLHLFLTPGLL EAETMQHIFLNNYQLCSEISEPVLQHFVHLLATHGRHVQYLDFLHTVIKA EGKYVKKCQDMIMTELTNAGDDVVVFYNDKASLAHLLDMMKAARDGVEDH SPLMYHISLVDLLAACAEGKNVYTEIKCTSLLPLEDVVSVVTHEDCITEV KMAYVNFVNHCYVDTEVEMKEIYTSNHIWTLFENFTLDMARVCSKREKRV ADPTLEKYVLSVVLDTINAFFSSPFSENSTSLQTHQTIVVQLLQSTTRLL ECPWLQQQHKGSVEACIRTLAMVAKGRAILLPMDLDAHISSMLSWDYKNI IEKLQDIITALEERLKPLVQAELSVLVDVLHWPELLFLEGSEAYQRCESG GFLSKLIQHTKDLMESEEKLCIKVLRTLQQMLLKKTKYGDRGNQLRKMLL QNYLQNRDWSAIAATQCRLDKEGATKLVCDLITSTKNEKIFQESIGLAIH LLDGGNTEIQKSFHNLMMSDKKSERFFKVLHDRMKRAQQETKSTVEMGTS VLIMQPILRFLQLLCENHNRDLQNFLRCQNNKTNYNLVCETLQFLDIMCG STTGGLGLLGLYINEDNVGLVIQTLETLTEYCQGPCHENQTCIVTHESNG IDIITALILNDISPLCKYRMDLVLQLKDNASKLLLALMESRHDSENAERI LISLRPQELVDVIKKAYLQEEERENSEVSPREVGHNIYILALQLSRHNKQ LQHLLKPVEDPLAYYENHTSQIEIVRQDRSMEQIVFPVPGICQFLTEETK HRLFTTTEQDEQGSKVSDFFDQSSFLHNEMEWQRKLRSMPLIYWFSRRMT LWGSISFNLAVFINIIIAFFYPYMSIRPLIVALILRSIYYLGIGPTLNIL GALNLTNKIVFVVSFVGNRGTFIRGYKAMVMDMEFLYHVGYILTSVLGLF AHELFYSILLFDLIYREETLFNVIKSVTRNGRSILLTALLALILVYLFSI VGFLFLKDDFILEVDRLPDSTERACDTLLMCIVTVMNHGLRNGGGVGDIL RKPSKDESLFPARVVYDLLFFFIVIIIVLNLIFGVIIDTFADLRSEKQKK EEILKTTCFICGLERDKFDNKTVSFEEHIKLEHNMWNYLYFIVLVRVKNK TDYTGPESYVAQMIKNKNLDWFPRMRAMSLVSNEGEGEQNEIRILQDKLN STMKLVSHLTAQLNELKE |
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Ligand ID | I3P |
InChI | InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1 |
InChIKey | MMWCIQZXVOZEGG-XJTPDSDZSA-N |
SMILES | Software | SMILES |
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ACDLabs 10.04 | O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O | OpenEye OEToolkits 1.5.0 | C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O | CACTVS 3.341 | O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O | OpenEye OEToolkits 1.5.0 | [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O | CACTVS 3.341 | O[C@@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O)=O |
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Formula | C6 H15 O15 P3 |
Name | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE |
ChEMBL | CHEMBL279107 |
DrugBank | DB03401 |
ZINC | ZINC000004095598
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PDB chain | 8tki Chain B Residue 3002
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Enzyme Commision number |
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