4BS0
Crystal Structure of Kemp Eliminase HG3.17 E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Summary for 4BS0
| Entry DOI | 10.2210/pdb4bs0/pdb |
| Descriptor | KEMP ELIMINASE HG3.17, SULFATE ION, 6-NITROBENZOTRIAZOLE, ... (4 entities in total) |
| Functional Keywords | lyase-lyase inhibitor complex, computational protein design, proton transfer, kemp elimination, directed evolution, transition state tuning, bottom-up enzyme construction, elementary chemical step catalysis, lyase/lyase inhibitor |
| Biological source | THERMOASCUS AURANTIACUS |
| Total number of polymer chains | 2 |
| Total formula weight | 69636.14 |
| Authors | Blomberg, R.,Kries, H.,Pinkas, D.M.,Mittl, P.R.E.,Gruetter, M.G.,Privett, H.K.,Mayo, S.,Hilvert, D. (deposition date: 2013-06-06, release date: 2013-10-16, Last modification date: 2023-12-20) |
| Primary citation | Blomberg, R.,Kries, H.,Pinkas, D.M.,Mittl, P.R.E.,Gruetter, M.G.,Privett, H.K.,Mayo, S.L.,Hilvert, D. Precision is Essential for Efficient Catalysis in an Evolved Kemp Eliminase Nature, 503:418-, 2013 Cited by PubMed: 24132235DOI: 10.1038/NATURE12623 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.09 Å) |
Structure validation
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