Structure of PDB 6cja Chain C Binding Site BS03 |
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| Ligand ID | F0G |
| InChI | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1 |
| InChIKey | UPOKXKNJCNHZTH-ASMSWWRESA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | n1c(c(O)c(\C=N\C(C(O)=O)C)c(COP(O)(O)=O)c1)C | | OpenEye OEToolkits 2.0.6 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O | | CACTVS 3.385 | C[C@H](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O | | OpenEye OEToolkits 2.0.6 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)C(=O)O)O | | CACTVS 3.385 | C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O |
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| Formula | C11 H15 N2 O7 P |
| Name | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine;
PLP-Ala |
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| PDB chain | 6cja Chain D Residue 400
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| Enzyme Commision number |
4.4.1.8: Transferred entry: 4.4.1.13. |
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