Structure of PDB 8w2g Chain A Binding Site BS01 |
| >8w2g Chain A (length=741) Species: 9606 (Homo sapiens)
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GAGKAIGVLTSGGDAQGMNAAVRAVTRMGIYVGAKVFLIYEGYEGLVEGG
ENIKQANWLSVSNIIQLGGTIIGSARCKAFTTREGRRAAAYNLVQHGITN
LCVIGGDGSLTGANIFRSEWGSLLEELVAEGKISETTARTYSHLNIAGLV
GSIDNDFCGTDMTIGTDSALHRIMEVIDAITTTAQSHQRTFVLEVMGRHC
GYLALVSALASGADWLFIPEAPPEDGWENFMCERLGETRSRGSRLNIIII
AEGAIDRNGKPISSSYVKDLVVQRLGFDTRVTVLGHVQRGGTPSAFDRIL
SSKMGMEAVMALLEATPDTPACVVTLSGNQSVRLPLMECVQMTKEVQKAM
DDKRFDEATQLRGGSFENNWNIYKLLAHQKPPKEKSNFSLAILNVGAPAA
GMNAAVRSAVRTGISHGHTVYVVHDGFEGLAKGQVQEVGWHDVAGWLGRG
GSMLGTKRTLPKGQLESIVENIRIYGIHALLVVGGFEAYEGVLQLVEARG
RYEELCIVMCVIPATISNNVPGTDFSLGSDTAVNAAMESCDRIKQSASGT
KRRVFIVETMGGYCGYLATVTGIAVGADAAYVFEDPFNIHDLKVNVEHMT
EKMKTDIQRGLVLRNEKCHDYYTTEFLYNLYSSEGKGVFDCRTNVLGHLQ
QGGAPTPFDRNYGTKLGVKAMLWLSEKLREVYRKGRVFANAPDSACVIGL
KKKAVAFSPVTELKKDTDFEHRMPREQWWLSLRLMLKMLAQ |
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| Ligand ID | F6P |
| InChI | InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 |
| InChIKey | BGWGXPAPYGQALX-ARQDHWQXSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=P(O)(O)OCC1OC(O)(CO)C(O)C1O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O | | CACTVS 3.341 | OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O | | CACTVS 3.341 | OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O |
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| Formula | C6 H13 O9 P |
| Name | 6-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-fructose;
6-O-phosphono-D-fructose;
6-O-phosphono-fructose |
| ChEMBL | CHEMBL604196 |
| DrugBank | |
| ZINC | ZINC000004096690
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| PDB chain | 8w2g Chain A Residue 801
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