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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 DOI10.2210/pdb2yim/pdb
Related1X74
DescriptorPROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (2-METHYLACYL-COA RACEMASE) (2-ARYLPROPIONYL-COA EPIMERASE ), GLYCEROL, 2-METHYLACETOACETYL COA, ... (5 entities in total)
Functional Keywordsisomerase, methyl-coa racemase, transition state, molecular dynamics, qm/mm, oxyanion hole
Biological sourceMYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains4
Total formula weight159000.12
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 citationSharma, 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: 22360758
DOI: 10.1021/JP210185M
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.41 Å)
Structure validation

217705

数据于2024-03-27公开中

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