2G0L
Solution Structure of Neocarzinostatin Apo-Protein with bound Flavone
Summary for 2G0L
| Entry DOI | 10.2210/pdb2g0l/pdb |
| Related | 1J5H 1J5I 2G0K |
| NMR Information | BMRB: 6888 |
| Descriptor | NEOCARZINOSTATIN, 2-PHENYL-4H-CHROMEN-4-ONE (2 entities in total) |
| Functional Keywords | beta sandwich, igg fold, antibiotic |
| Biological source | Streptomyces carzinostaticus |
| Total number of polymer chains | 1 |
| Total formula weight | 12449.51 |
| Authors | Muskett, F.W.,Stoneman, R.G.,Caddick, S.,Woolfson, D.N. (deposition date: 2006-02-13, release date: 2006-03-28, Last modification date: 2024-11-13) |
| Primary citation | Caddick, S.,Muskett, F.W.,Stoneman, R.G.,Woolfson, D.N. Synthetic Ligands for Apo-Neocarzinostatin J.Am.Chem.Soc., 128:4204-4205, 2006 Cited by PubMed Abstract: Neocarzinostatin (NCS) is a 1:1 complex of an enediyne chromophore (NCSChrom), non-covalently bound to an 11 kDa protein (apoNCS). We are exploring apoNCS as a generic protein system for sequestering small molecules for therapeutic applications. Here, we disclose a new flavone ligand 1 for apoNCS and present a high-resolution NMR structure of this ligand bound to apoNCS. This is the first high-resolution structure of a completely non-cognate ligand bound to the apoNCS protein. This work provides unambiguous evidence that a completely new class of ligand can bind specifically to apoNCS. Furthermore, the mode of binding is different than that of the naphthoate-based ligands, and for such a simple hydrophobic compound, the new ligand surprisingly binds specifically. This work indicates that apo-Neocarzinostatin has multiple selective and distinct binding modes for small-molecule cargo. PubMed: 16568976DOI: 10.1021/ja058419i PDB entries with the same primary citation |
| Experimental method | SOLUTION NMR |
Structure validation
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