Structure of PDB 1qnf Chain A Binding Site BS02 |
| >1qnf Chain A (length=475) Species: 269084 (Synechococcus elongatus PCC 6301)
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MAAPILFWHRRDLRLSDNIGLAAARAQSAQLIGLFCLDPQILQSADMAPA
RVAYLQGCLQELQQRYQQAGSRLLLLQGDPQHLIPQLAQQLQAEAVYWNQ
DIEPYGRDRDGQVAAALKTAGIRAVQLWDQLLHSPDQILSGSGNPYSVYG
PFWKNWQAQPKPTPVATPTELVDLSPEQLTAIAPLLLSELPTLKQLGFDW
DGGFPVEPGETAAIARLQEFCDRAIADYDPQRNFPAEAGTSGLSPALKFG
AIGIRQAWQAASAAHALSRSDEARNSIRVWQQELAWREFYQHALYHFPSL
ADGPYRSLWQQFPWENREALFTAWTQAQTGYPIVDAAMRQLTETGWMHNR
CRMIVASFLTKDLIIDWRRGEQFFMQHLVDGDLAANNGGWQWSASSGMDP
KPLRIFNPASQAKKFDATATYIKRWLPELRHVHPKDLISGEITPIERRGY
PAPIVNHNLRQKQFKALYNQLKAAI |
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| Ligand ID | HDF |
| InChI | InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13+/m1/s1 |
| InChIKey | AUEILLWDYUBWCM-AGIUHOORSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O | | ACDLabs 10.04 | O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO | | CACTVS 3.341 | OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13 | | OpenEye OEToolkits 1.5.0 | c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(CO)O)O)O | | CACTVS 3.341 | OC[C@H](O)[C@@H](O)[C@H](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13 |
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| Formula | C16 H17 N3 O7 |
| Name | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000103544532
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| PDB chain | 1qnf Chain A Residue 486
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