2YIM
The enolisation chemistry of a thioester-dependent racemase: the 1.4 A crystal structure of a complex with a planar reaction intermediate analogue
Summary for 2YIM
Entry DOI | 10.2210/pdb2yim/pdb |
Related | 1X74 |
Descriptor | PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (2-METHYLACYL-COA RACEMASE) (2-ARYLPROPIONYL-COA EPIMERASE ), GLYCEROL, 2-METHYLACETOACETYL COA, ... (5 entities in total) |
Functional Keywords | isomerase, methyl-coa racemase, transition state, molecular dynamics, qm/mm, oxyanion hole |
Biological source | MYCOBACTERIUM TUBERCULOSIS |
Total number of polymer chains | 4 |
Total formula weight | 159000.12 |
Authors | Sharma, S.,Bhaumik, P.,Venkatesan, R.,Hiltunen, J.K.,Conzelmann, E.,Juffer, A.H.,Wierenga, R.K. (deposition date: 2011-05-16, release date: 2012-03-28, Last modification date: 2023-12-20) |
Primary citation | Sharma, S.,Bhaumik, P.,Schmitz, W.,Venkatesan, R.,Hiltunen, J.K.,Conzelmann, E.,Juffer, A.H.,Wierenga, R.K. The Enolization Chemistry of a Thioester-Dependent Racemase: The 1.4 A Crystal Structure of a Reaction Intermediate Complex Characterized by Detailed Qm/Mm Calculations. J Phys Chem B, 116:3619-, 2012 Cited by PubMed: 22360758DOI: 10.1021/JP210185M PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.41 Å) |
Structure validation
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