Structure of PDB 1c4g Chain A Binding Site BS02 |
| >1c4g Chain A (length=561) Species: 9986 (Oryctolagus cuniculus)
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VKIVTVKTKAYPDQKPGTSGLRKRVKVFQSSTNYAENFIQSIISTVEPAQ
RQEATLVVGGDGRFYMKEAIQLIVRIAAANGIGRLVIGQNGILSTPAVSC
IIRKIKAIGGIILTASHNPGGPNGDFGIKFNISNGGPAPEAITDKIFQIS
KTIEEYAICPDLKVDLGVLGKQQFDLENKFKPFTVEIVDSVEAYATMLRN
IFDFNALKELLSGPNRLKIRIDAMHGVVGPYVKKILCEELGAPANSAVNC
VPLEDFGGHHPDPNLTYAADLVETMKSGEHDFGAAFDGDGDRNMILGKHG
FFVNPSDSVAVIAANIFSIPYFQQTGVRGFARSMPTSGALDRVANATKIA
LYETPTGWKFFGNLMDASKLSLCGEESFGTGSDHIREKDGLWAVLAWLSI
LATRKQSVEDILKDHWHKFGRNFFTRYDYEEVEAEGATKMMKDLEALMFD
RSFVGKQFSANDKVYTVEKADNFEYHDPVDGSVSKNQGLRLIFADGSRII
FRLSGTGSAGATIRLYIDSYEKDNAKINQDPQVMLAPLISIALKVSQLQE
RTGRTAPTVIT |
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| Ligand ID | VG1 |
| InChI | InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6-;;;;/m1..../s1 |
| InChIKey | SYRDAPWACIANBN-QMKHLHGBSA-M |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | O[CH]1[CH](O)[CH](CO[V](O)(=O)=O)O[CH](O[P](O)(O)=O)[CH]1O | | ACDLabs 10.04 | O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O | | CACTVS 3.341 | O[C@H]1[C@H](O)[C@@H](CO[V](O)(=O)=O)O[C@H](O[P](O)(O)=O)[C@@H]1O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O |
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| Formula | C6 H13 O12 P V |
| Name | ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1c4g Chain A Residue 563
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