Structure of PDB 3usp Chain A Binding Site BS07 |
| >3usp Chain A (length=503) Species: 63363 (Aquifex aeolicus)
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REHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLV
GIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVV
AIYYVYIESWTLGFAIKFLVGLVPEPPPTDPDSILRPFKEFLYSYIGVPK
GDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILA
VFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLS
LGFGAIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFF
GVANAVAIAKAGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAGLTSS
IAIMQPMIAFLEDELKLSRKHAVLWTAAIVFFSAHLVMFLNKSLDEMDFW
AGTIGVVFFGLTELIIFFWIFGADKAWEEINRGGIIKVPRIYYYVMRYIT
PAFLAVLLVVWAREYETHWTVWITRFYIIGLFLFLTFLVFLAERRRNHES
AGT |
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| Ligand ID | 05L |
| InChI | InChI=1S/C13H26O5Se/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1 |
| InChIKey | SHGOSUGSVFEXFV-LBELIVKGSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | CCCCCCC[Se]C1C(C(C(C(O1)CO)O)O)O | | CACTVS 3.370 | CCCCCCC[Se][C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 1.7.6 | CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O | | CACTVS 3.370 | CCCCCCC[Se][CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | | ACDLabs 12.01 | [Se](CCCCCCC)C1OC(C(O)C(O)C1O)CO |
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| Formula | C13 H26 O5 Se |
| Name | heptyl 1-seleno-beta-D-glucopyranoside;
heptyl 1-seleno-beta-D-glucoside;
heptyl 1-seleno-D-glucoside;
heptyl 1-seleno-glucoside |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 3usp Chain A Residue 608
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| Enzyme Commision number |
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