Structure of PDB 5wsc Chain B Binding Site BS02 |
| >5wsc Chain B (length=471) Species: 83332 (Mycobacterium tuberculosis H37Rv)
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TRRGKIVCTLGPATQRDDLVRALVEAGMDVARMNFSHGDYDDHKVAYERV
RVASDATGRAVGVLADLQGPKIRLGRFASGATHWAEGETVRITVGACEGS
HDRVSTTYKRLAQDAVAGDRVLVDDGKVALVVDAVEGDDVVCTVVEGGPV
SDNKGISLPGMNVTAPALSEKDIEDLTFALNLGVDMVALSFVRSPADVEL
VHEVMDRIGRRVPVIAKLEKPEAIDNLEAIVLAFDAVMVARGDLGVELPL
EEVPLVQKRAIQMARENAKPVIVATQMLDSMIENSRPTRAEASDVANAVL
DGADALMLSGETSVGKYPLAAVRTMSRIICAVEENSTAAPPLTHIPRTKR
GVISYAARDIGERLDAKALVAFTQSGDTVRRLARLHTPLPLLAFTAWPEV
RSQLAMTWGTETFIVPKMQSTDGMIRQVDKSLLELARYKRGDLVVIVAGA
PPGTVGSTNLIHVHRIGEDDV |
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| Ligand ID | G6P |
| InChI | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | NBSCHQHZLSJFNQ-DVKNGEFBSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O | | CACTVS 3.341 | O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.341 | O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O | | ACDLabs 10.04 | O=P(O)(O)OCC1OC(O)C(O)C(O)C1O |
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| Formula | C6 H13 O9 P |
| Name | 6-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-alpha-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose |
| ChEMBL | |
| DrugBank | DB02007 |
| ZINC | ZINC000003875375
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| PDB chain | 5wsc Chain B Residue 502
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