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| {{STRUCTURE_2p8c| PDB=2p8c | SCENE= }} | | {{STRUCTURE_2p8c| PDB=2p8c | SCENE= }} |
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| '''Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Arg.'''
| | ===Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Arg.=== |
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| ==Overview==
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| The protein databases contain many proteins with unknown function. A computational approach for predicting ligand specificity that requires only the sequence of the unknown protein would be valuable for directing experiment-based assignment of function. We focused on a family of unknown proteins in the mechanistically diverse enolase superfamily and used two approaches to assign function: (i) enzymatic assays using libraries of potential substrates, and (ii) in silico docking of the same libraries using a homology model based on the most similar (35% sequence identity) characterized protein. The results matched closely; an experimentally determined structure confirmed the predicted structure of the substrate-liganded complex. We assigned the N-succinyl arginine/lysine racemase function to the family, correcting the annotation (L-Ala-D/L-Glu epimerase) based on the function of the most similar characterized homolog. These studies establish that ligand docking to a homology model can facilitate functional assignment of unknown proteins by restricting the identities of the possible substrates that must be experimentally tested. | | The line below this paragraph, {{ABSTRACT_PUBMED_17603539}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 17603539 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_17603539}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: N-succinyl amino acid racemase]] | | [[Category: N-succinyl amino acid racemase]] |
| [[Category: Prediction of function]] | | [[Category: Prediction of function]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 12:35:42 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 14:19:31 2008'' |