Structure of PDB 8bqq Chain A Binding Site BS01 |
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| Ligand ID | RJU |
| InChI | InChI=1S/2C4H8NO3.Mn.6Mo.18O/c2*5-4(1-6,2-7)3-8;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-3,5H2;;;;;;;;;;;;;;;;;;;;;;;;;/q2*+6;;;;;;;;;;;;;;12*-1 |
| InChIKey | PCXYAXRCDFMDHK-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | NC12C[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(N)(C[O++]6%11%12)C[O++]7%13%14)[O++]8%15C2 | | OpenEye OEToolkits 3.1.0.0 | C1C2(C[O+2]34[Mn]5678[O+2]19[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(O4)(O1)([O-])[O-])([O-])[O-])([O-])[O-])N)([O-])[O-])([O-])[O-])([O-])[O-])N |
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| Formula | C8 H16 Mn Mo6 N2 O24 |
| Name | Mn-Mo(6)-N(2)-O(24)-C(8) cluster;
amine-functionalised Anderson-Evans polyoxometalate |
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| PDB chain | 8bqq Chain A Residue 201
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| Enzyme Commision number |
3.2.1.17: lysozyme. |
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