Structure of PDB 4ndg Chain A Binding Site BS03 |
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| Ligand ID | V5A |
| InChI | InChI=1S/C10H12N5O4.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);1H2;;/q-1;;;+2/p-1/t4-,6-,7-,10-;;;/m1.../s1 |
| InChIKey | JVJRKVXEYLCGDR-MSQVLRTGSA-M |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[V](=O)O)O)O)N | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[V](O)=O)[C@@H](O)[C@H]3O | | ACDLabs 12.01 | O=[V](O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | OpenEye OEToolkits 1.7.6 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[V](=O)O)O)O)N | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[V](O)=O)[CH](O)[CH]3O |
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| Formula | C10 H13 N5 O6 V |
| Name | adenosine-5'-vanadate |
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| PDB chain | 4ndg Chain A Residue 401
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| Enzyme Commision number |
3.6.1.71: adenosine-5'-diphospho-5'-[DNA] diphosphatase.
3.6.1.72: DNA-3'-diphospho-5'-guanosine diphosphatase. |
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