Structure of PDB 2fkf Chain A Binding Site BS01 |
| >2fkf Chain A (length=455) Species: 287 (Pseudomonas aeruginosa)
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LPASIFRAYDIRGVVGDTLTAETAYWIGRAIGSESLARGEPCVAVGRDGR
LSGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANVLEGKSGVMLTGS
HNPPDYNGFKIVVAGETLANEQIQALRERIEKNDLASGVGSVEQVDILPR
YFKQIRDDIAMAKPMKVVVDCGNGVAGVIAPQLIEALGCSVIPLYCEVDG
NFPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTII
YPDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGH
SLIKKKMKETGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQR
DSEHVFSAFPSDISTPEINITVTEDSKFAIIEALQRDAQWGEGNITTLDG
VRVDYPKGWGLVRASNTTPVLVLRFEADTEEELERIKTVFRNQLKAVDSS
LPVPF |
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| Ligand ID | G16 |
| InChI | InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | RWHOZGRAXYWRNX-VFUOTHLCSA-M |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O[P](O)([O-])=O)[C@@H]1O | | ACDLabs 10.04 | O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O | | CACTVS 3.341 | O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O-])=O)[CH]1O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)OP(=O)(O)O | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O |
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| Formula | C6 H13 O12 P2 |
| Name | 1,6-di-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE;
1,6-di-O-phosphono-alpha-D-glucose;
1,6-di-O-phosphono-D-glucose;
1,6-di-O-phosphono-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 2fkf Chain A Residue 465
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