International Journal of Quantum Chemistry

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Self-consistent field calculations on 2-aminomethyl-3-carboxymethyl pyrrole, a substrate analog of PBG deaminase evidence of intramolecular hydrogen bonding

A. M. Sapse

Departments of Chemistry and Biochemistry, City University of New York, John Jay College, The City College and Queensborough Community College, New York, New York 10036, U.S.A.

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C. S. Russell,

C. S. Russell

Departments of Chemistry and Biochemistry, City University of New York, John Jay College, The City College and Queensborough Community College, New York, New York 10036, U.S.A.

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G. Snyder,

G. Snyder

Departments of Chemistry and Biochemistry, City University of New York, John Jay College, The City College and Queensborough Community College, New York, New York 10036, U.S.A.

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A. M. Sapse,

A. M. Sapse

Departments of Chemistry and Biochemistry, City University of New York, John Jay College, The City College and Queensborough Community College, New York, New York 10036, U.S.A.

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C. S. Russell,

C. S. Russell

Departments of Chemistry and Biochemistry, City University of New York, John Jay College, The City College and Queensborough Community College, New York, New York 10036, U.S.A.

Search for more papers by this author

G. Snyder,

G. Snyder

Departments of Chemistry and Biochemistry, City University of New York, John Jay College, The City College and Queensborough Community College, New York, New York 10036, U.S.A.

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First published: 5/7 March 1981

https://doi.org/10.1002/qua.560200706

Citations: 1

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Abstract

Ab-initio self-consistent field calculations are undertaken in order to investigate the possibilities for intramolecular hydrogen bonding in 2-aminomethyl-3-carboxymethyl pyrrole, an analog of porphobilinogen. The structure which features a hydrogen bond between the carboxyl hydrogen and the nitrogen of the aminomethyl substituent shows a decrease in energy of 4 kcal/mol compared to the most stable structure which does not exhibit such bonds.

Bibliography

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Citing Literature

Volume20, IssueS8

Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology

5/7 March 1981

Pages 73-80

Self-consistent field calculations on 2-aminomethyl-3-carboxymethyl pyrrole, a substrate analog of PBG deaminase evidence of intramolecular hydrogen bonding

Abstract

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Self-consistent field calculations on 2-aminomethyl-3-carboxymethyl pyrrole, a substrate analog of PBG deaminase evidence of intramolecular hydrogen bonding

Abstract

Bibliography

Citing Literature

References

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