Structure of PDB 5vie Chain C Binding Site BS04 |
| >5vie Chain C (length=667) Species: 9606 (Homo sapiens)
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EEAVRLYRKALEVFPEFAAAHSNLASVLQQQGKLQEALMHYKEAIRISPT
FADAYSNMGNTLKEMQDVQGALQCYTRAIQINPAFADAHSNLASIHKDSG
NIPEAIASYRTALKLKPDFPDAYCNLAHCLQIVCDWTDYDERMKKLVSIV
ADQLELPSVHPHHSMLYPLSHGFRKAIAERHGNLCLDKINVLHKPPYEHP
KDLKLSDGRLRVGYVSSDFGNHPTSHLMQSIPGMHNPDKFEVFCYALSPD
DGTNFRVKVMAEANHFIDLSQIPCNGKAADRIHQDGIHILVNMNGYTKGA
RNELFALRPAPIQAMWLGYPGTSGALFMDYIITDQETSPAEVAEQYSEKL
AYMPHTFFIGDHANMFPHLKKKAVIDFIYDNRIVLNGIDLKAFLDSLPDV
KIVNMPVIPMNTIAEAVIEMINRGQIQITINGFSISNGLATTQINNKAAT
GEEVPRTIIVTTRSQYGLPEDAIVYCNFNQLYKIDPSTLQMWANILKRVP
NSVLWLLRFPAVGEPNIQQYAQNMGLPQNRIIFSPVAPKEEHVRRGQLAD
VCLDTPLCNGHTTGMDVLWAGTPMVTMPGETLASRVAASQLTCLGCLELI
AKNRQEYEDIAVKLGTDLEYLKKVRGKVWKQRISSPLFNTKQYTMELERL
YLQMWEHYAANKPDHMI |
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| Ligand ID | 9CD |
| InChI | InChI=1S/C10H17NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h2-3,5,7-10,12,14-16H,4H2,1H3,(H,11,13)/b3-2+/t5-,7-,8-,9-,10-/m1/s1 |
| InChIKey | GANGCWNSYXFAHD-SUZWSAGVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O | | ACDLabs 12.01 | OC1C(C(OC(C1O)CO)O)NC([C@H]=CC)=O | | OpenEye OEToolkits 2.0.6 | CC=CC(=O)NC1C(C(C(OC1O)CO)O)O | | CACTVS 3.385 | C\C=C\C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O | | CACTVS 3.385 | CC=CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
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| Formula | C10 H17 N O6 |
| Name | 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose;
2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucose;
2-{[(2E)-but-2-enoyl]amino}-2-deoxy-D-glucose;
2-{[(2E)-but-2-enoyl]amino}-2-deoxy-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5vie Chain C Residue 1102
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| Enzyme Commision number |
2.4.1.255: protein O-GlcNAc transferase. |
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