Structure of PDB 5gub Chain C Binding Site BS01 |
| >5gub Chain C (length=473) Species: 519441 (Streptobacillus moniliformis DSM 12112)
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PKETTIFAMHLGKALDPNLPVFVKAEKDTNIKLVNVASQNQTDQIQAYNL
MLTEGKLPDIVSYELSADLENLGIEGGLIPLEDLINQHAPNLKKFFEENP
RYKKDAVAVDGHIYMIPNYYDYFNIKVSQGYFIRQDWLEKLGLKEPRTVD
ELYTTLKAFREKDPNGNGKKDEVPFFVRANNVRKVLTSLVDLFKASPIWY
EENGMVKYGPAQKEFKHAIKELSKWYKEGLIDEEIFTRGLESRDYLLSNN
LGGATDDWIASTSSYNRNLADKIPGFNLKLVLPYELNGNAKTRHARTTYL
GGWGISKDAKDPVSLIKYFDYWYSVEGRRLWNFGIEGSEYTLVDGKPVFT
DKVLKNPDGKTPLAVLREVGAQYRLGAFQDAQYELGWASESAKAGYKYYM
DNDVVLDELPILKYTKEKSKEFVSIDTAMRAVVEEKAQQWILGSGDIDKE
WDAYIKRLENLGLSKAEQIQNEA |
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| Ligand ID | GCD |
| InChI | InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1 |
| InChIKey | IAKKJSVSFCTLRY-YKKSOZKNSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | C1=C(OC(C(C1O)O)O)C(=O)O | | CACTVS 3.370 | O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O | | CACTVS 3.370 | O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O | | OpenEye OEToolkits 1.7.6 | C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O | | ACDLabs 12.01 | O=C(O)C=1OC(O)C(O)C(O)C=1 |
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| Formula | C6 H8 O6 |
| Name | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid;
4,5-DEHYDRO-D-GLUCURONIC ACID;
4-deoxy-alpha-L-threo-hex-4-enuronic acid;
4-deoxy-L-threo-hex-4-enuronic acid;
4-deoxy-threo-hex-4-enuronic acid |
| ChEMBL | |
| DrugBank | DB02305 |
| ZINC |
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| PDB chain | 5gub Chain F Residue 2
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