Structure of PDB 8bqt Chain A Binding Site BS02 |
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| Ligand ID | U7U |
| InChI | InChI=1S/2C5H9O3.Mn.6Mo.18O/c2*1-5(2-6,3-7)4-8;;;;;;;;;;;;;;;;;;;;;;;;;/h2*2-4H2,1H3;;;;;;;;;;;;;;;;;;;;;;;;;/q2*+6;;;;;;;;;;;;;;12*-1 |
| InChIKey | MAWUAWMKVXEIFO-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 3.1.0.0 | CC12C[O+2]34[Mn]5678[O+2]9(C1)[Mo]1%10([O+2]55[Mo]3(O1)(O[Mo]41([O+2]63CC(C5)(C[O+2]74[Mo]9(O%10)(O[Mo]44([O+2]8(C2)[Mo]3(O1)(O4)([O-])[O-])([O-])[O-])([O-])[O-])C)([O-])[O-])([O-])[O-])([O-])[O-] | | CACTVS 3.385 | CC12C[O++]34[Mn]5678[O++]9(C1)[Mo]%10%11([O-])([O-])O[Mo]3%12([O-])([O-])O[Mo]4%13([O-])([O-])O[Mo]%14%15([O-])([O-])O[Mo]%16([O-])([O-])(O[Mo]9([O-])([O-])(O%10)[O++]5%16CC(C)(C[O++]6%11%12)C[O++]7%13%14)[O++]8%15C2 |
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| Formula | C10 H18 Mn Mo6 O24 |
| Name | Mn-Mo(6)-O(24)-C(10) cluster;
methyl-functionalised Anderson-Evans polyoxometalate |
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| PDB chain | 8bqt Chain A Residue 202
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| Enzyme Commision number |
3.2.1.17: lysozyme. |
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