Structure of PDB 7t3q Chain A Binding Site BS03 |
>7t3q Chain A (length=2103) Species: 9606 (Homo sapiens)
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SSFLHIGDIVSLYAEGSVNGFISTLGLVDDRCVVEPAAGDLDNPPKKFRD CLFKVCPMNRYSAQKQYWKAKQTVVLLQKLQHAAQMEQKQNDTENKKVHG DVVKYGSVIQLLHMKSNKYLTVNKRLPALLEKNAMRVTLDATGNEGSWLF IQPFWKLRSNGDNVVVGDKVILNPVNAGQPLHASNYELSDNAGCKEVNSV NCNTSWKINLFMQFRDHLEEVLKGGDVVRLFHAEQEKFLTCDEYKGKLQV FLRTTLRQSATSATSSNALWEVEVVHHDPCRGGAGHWNGLYRFKHLATGN YLAAEENKYCLVAVPHGNDIASLFELDPTTLQKTDSFVPRNSYVRLRHLC TNTWIQSTNVPIDIEEERPIRLMLGTCPTKEDKEAFAIVSVPVSEIRDLD FANDASSMLASAVEKLNEGFISQNDRRFVIQLLEDLVFFVSDVPNNGQNV LDIMVTKPNRERQKLMREQNILKQVFGILKAPFRPLVRLEELSDQKNAPY QHMFRLCYRVLRHSQEDYRKNQEHIAKQFGMMQSQIGYDILAEDTITALL HNNRKLLEKHITKTEVETFVSLVRKNREPRFLDYLSDLCVSNHIAIPVTQ ELICKCVLDPKNSDILIRTELRPEVWLTWTDKNNEHHEKSVRQLAQEARA GNAHDENVLSYYRYQLKLFARMCLDRQYLAIDEISQQLGVDLIFLCMADE MLPFDLRASFCHLMLHVHVDRDPQELVTPVKFARLWTEIPTAITIKDYDS NLNNKFANTMEFVEDYLNNVVSEAVPFANEEKNKLTFEVVSLAHNLIYFG FYSFSELLRLTRTLLGIIDCDIVVMETKLKILEILQFILNVRLDYRISYL LSVFKKEFLDRIGEQAEAMFGLEVDDEGGRMFLRVLIHLTMHDYAPLVSG ALQLLFKHFSQRQEAMHTFKQVQLLISAQDVENYKVIKSELDRLRTMVEK NYQIVKGILERLNKMCQMRKKQQRLLKNMDAHKVMLDLLQIPYDKGDAKM MEILRYTHQFLQKFCAGNPGNQALLHKHLHLFLTPGLLEAETMQHIFLNN YQLCSEISEPVLQHFVHLLATHGRHVQYLDFLHTVIKAEGKYVKKCQDMI MTELTNAGDDVVVFYNDKASLAHLLDMMKAARDGVEDHSPLMYHISLVDL LAACAEGKNVYTEIKCTSLLPLEDVVSVVTHEDCITEVKMAYVNFVNHCY VDTEVEMKEIYTSNHIWTLFENFTLDMARVCSKRDPTLEKYVLSVVLDTI NAFFSSPFSEQTHQTIVVQLLQSTTRLLEGSVEACIRTLAMVKNIIEKLQ DIITALEERLKPLVQAELSVLVDVLHWPELLFLEGSEAYQRCESGGFLSK LIQHTKDLMESEEKLCIKVLRTLQQMLLKKTKYGDRGNQLRKMLLQNYLQ NSAIAATQCRLDKEGATKLVCDLITSTKNEKIFQESIGLAIHLLDGGNTE IQKSFHNLMMSDKKSERFFKVLHDRMKRAQQETKSTGTSVLIMQPILRFL QLLCENHNRDLQNFLRCQNNKTNYNLVCETLQFLDIMCGSGLLGLYINED NVGLVIQTLETLTEYCQGPCHENQTCIVTHESNGIDIITALILNDMDLVL QLKDNASKLLLALMESRHDSENAERILISLRPQELVDVIKKAYLVSPREV GHNIYILALQLSRHNKQLQHLLKPVEDPLAYYENHTSQIEIVRQDRSMEQ IVFPVPGICQFLTEETKHRLFTTTEQDEQGSKVSDFFDQSSFLHNEMEWQ RKLRSMPLIYWFSRRMTLWGSISFNLAVFINIIIAFFYPYIRPLIVALIL RSIYYLGIGPTLNILGALNLTNKIVFVVSFVGNRGTFMEFLYHVGYILTS VLGLFAHELFYSILLFDLIYREETLFNVIKSVTRNGRSILLTALLALILV YLFSIVGFLFLKDDFILEVDRLSTERACDTLLMCIVTVMNHGLRNGGGVG DILRKPSKDESLFPARVVYDLLFFFIVIIIVLNLIFGVIIDTFADLRSEK QKKEEILKTTCFICGLERDKFDNKTVSFEEHIKLEHNMWNYLYFIVLVRV KNKTDYTGPESYVAQMIKNKNLDWFPRMRAMSLVAAAAAAAAAAAAAAAA AAA |
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Ligand ID | ATP |
InChI | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 |
InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | CACTVS 3.341 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O | ACDLabs 10.04 | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N | CACTVS 3.341 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O |
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Formula | C10 H16 N5 O13 P3 |
Name | ADENOSINE-5'-TRIPHOSPHATE |
ChEMBL | CHEMBL14249 |
DrugBank | DB00171 |
ZINC | ZINC000004261765
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PDB chain | 7t3q Chain A Residue 2703
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Enzyme Commision number |
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