Structure of PDB 3q88 Chain A Binding Site BS01 |
| >3q88 Chain A (length=541) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4)
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NAMLFCDDSKKYLKEQNINLKNEFDKDDKRVEKFSLKHQNIYFDYSKNLI
NDYILKSLLESAEKSSLKDKIKQMFNGAKINSTEHRAVLHTALRDLSSTP
LIVDGQDIRQEVTKEKQRVKELVEKVVSGRWRGFSGKKITDIVNIGIGGS
DLGPKMVVRALQPYHCTDLKVHFVSNVDADSLLQALHVVDPETTLLIIAS
KSFSTEETLLNSISAREWLLDHYEDEKAVANHFVAISSKLDKVKEFGIDL
EHCYKMWDWVGGRYSLWSSIGMSIAFAIGYDNFEKLLAGAYSVDKHFKET
EFSKNIPVIMALLASYYSCTYNSQSQALLPYDERLCYFVDYLQQADMESN
GKSVNIAGETVNYQTGVVLWGGVGTNGQHAFHQLLHQGNIFIPVDFIAIA
TSHHNYDNHQQALLANCFAQSQALMFGQSYDMVYNELLKSGLNETQAKEL
AAHKVIPGNRPSTTILLDELSPYSLGALIALYEHKIFVQGVLWDINSYDQ
WGVELGKKLGKNILKAMNDDSSDEYQNLDDSTRQLIAKVKN |
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| Ligand ID | RI2 |
| InChI | InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1 |
| InChIKey | AAAFZMYJJHWUPN-TXICZTDVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O | | CACTVS 3.370 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(O)=O | | ACDLabs 12.01 | O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C1O | | OpenEye OEToolkits 1.7.0 | C(C1C(C(C(O1)OP(=O)(O)O)O)O)OP(=O)(O)O | | CACTVS 3.370 | O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(O)=O |
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| Formula | C5 H12 O11 P2 |
| Name | 1,5-di-O-phosphono-alpha-D-ribofuranose;
1,5-di-O-phosphono-alpha-D-ribose;
1,5-di-O-phosphono-D-ribose;
1,5-di-O-phosphono-ribose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000013522068
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| PDB chain | 3q88 Chain A Residue 601
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