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Literature DB >> 11014594

NMR detection of side chain-side chain hydrogen bonding interactions in 13C/15N-labeled proteins.

A Liu¹, W Hu, A Majumdar, M K Rosen, D J Patel.

Abstract

We describe the direct observation of side chain-side chain hydrogen bonding interactions in proteins with sensitivity-enhanced NMR spectroscopy. Specifically, the remote correlation between the guanidinium nitrogen 15Nepsilon of arginine 71, which serves as the hydrogen donor, and the acceptor carboxylate carbon 13CO2gamma of aspartate 100 in a 12 kDa protein, human FKBP12, is detected via the trans-hydrogen bond 3h JNepsilonCO2gamma coupling by employing a novel HNCO-type experiment, soft CPD-HNCO. The 3h JNepsilonCO2gamma coupling constant appears to be even smaller than the average value of backbone 3h JNC' couplings, consistent with more extensive local dynamics in protein side chains. The identification of trans-hydrogen bond J-couplings between protein side chains should provide useful markers for monitoring hydrogen bonding interactions that contribute to the stability of protein folds, to alignments within enzyme active sites and to recognition events at macromolecular interfaces.

Entities: Chemical Disease Gene Species

Mesh：

Substances：

Year: 2000 PMID： 11014594 DOI： 10.1023/a:1008390813387

Source DB: PubMed Journal: J Biomol NMR ISSN： 0925-2738 Impact factor: 2.835

21 in total

1. Inhibition of FKBP rotamase activity by immunosuppressant FK506: twisted amide surrogate.

Authors: M K Rosen; R F Standaert; A Galat; M Nakatsuka; S L Schreiber
Journal: Science Date: 1990-05-18 Impact factor: 47.728

2. Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin.

Authors: S W Michnick; M K Rosen; T J Wandless; M Karplus; S L Schreiber
Journal: Science Date: 1991-05-10 Impact factor: 47.728

3. A cytosolic binding protein for the immunosuppressant FK506 has peptidyl-prolyl isomerase activity but is distinct from cyclophilin.

Authors: J J Siekierka; S H Hung; M Poe; C S Lin; N H Sigal
Journal: Nature Date: 1989-10-26 Impact factor: 49.962

4. Observation of internucleotide NH...N hydrogen bonds in the absence of directly detectable protons.

Authors: A Majumdar; A Kettani; E Skripkin; D J Patel
Journal: J Biomol NMR Date: 1999-11 Impact factor: 2.835

5. NMR experiments for resonance assignments of 13C, 15N doubly-labeled flexible polypeptides: application to the human prion protein hPrP(23-230).

Authors: A Liu; R Riek; G Wider; C von Schroetter; R Zahn; K Wüthrich
Journal: J Biomol NMR Date: 2000-02 Impact factor: 2.835

6. Structural role of a buried salt bridge in the 434 repressor DNA-binding domain.

Authors: K Pervushin; M Billeter; G Siegal; K Wüthrich
Journal: J Mol Biol Date: 1996-12-20 Impact factor: 5.469

7. The 2D NMR experiments H(C)CO2 and HCCO2 for assignment and pH titration of carboxylate groups in uniformly 15N/13C-labeled proteins.

Authors: M Pellecchia; H Iwai; T Szyperski; K Wüthrich
Journal: J Magn Reson Date: 1997-01 Impact factor: 2.229

8. 1H, 13C, and 15N assignments and secondary structure of the FK506 binding protein when bound to ascomycin.

Authors: R X Xu; D Nettesheim; E T Olejniczak; R Meadows; G Gemmecker; S W Fesik
Journal: Biopolymers Date: 1993-04 Impact factor: 2.505

9. Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.

Authors: K P Wilson; M M Yamashita; M D Sintchak; S H Rotstein; M A Murcko; J Boger; J A Thomson; M J Fitzgibbon; J R Black; M A Navia
Journal: Acta Crystallogr D Biol Crystallogr Date: 1995-07-01

10. Atomic structures of the human immunophilin FKBP-12 complexes with FK506 and rapamycin.

Authors: G D Van Duyne; R F Standaert; P A Karplus; S L Schreiber; J Clardy
Journal: J Mol Biol Date: 1993-01-05 Impact factor: 5.469

9 in total

1. Conformational heterogeneity within the Michaelis complex of lactate dehydrogenase.

Authors: Hua Deng; Dung V Vu; Keith Clinch; Ruel Desamero; R Brian Dyer; Robert Callender
Journal: J Phys Chem B Date: 2011-05-13 Impact factor: 2.991

2. Rapid protein fold determination using secondary chemical shifts and cross-hydrogen bond 15N-13C' scalar couplings (3hbJNC').

Authors: A M Bonvin; K Houben; M Guenneugues; R Kaptein; R Boelens
Journal: J Biomol NMR Date: 2001-11 Impact factor: 2.835

NMR detection of side chain-side chain hydrogen bonding interactions in 13C/15N-labeled proteins.

1. Inhibition of FKBP rotamase activity by immunosuppressant FK506: twisted amide surrogate.

2. Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin.

3. A cytosolic binding protein for the immunosuppressant FK506 has peptidyl-prolyl isomerase activity but is distinct from cyclophilin.

4. Observation of internucleotide NH...N hydrogen bonds in the absence of directly detectable protons.

5. NMR experiments for resonance assignments of 13C, 15N doubly-labeled flexible polypeptides: application to the human prion protein hPrP(23-230).

6. Structural role of a buried salt bridge in the 434 repressor DNA-binding domain.

7. The 2D NMR experiments H(C)CO2 and HCCO2 for assignment and pH titration of carboxylate groups in uniformly 15N/13C-labeled proteins.

8. 1H, 13C, and 15N assignments and secondary structure of the FK506 binding protein when bound to ascomycin.

9. Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.

10. Atomic structures of the human immunophilin FKBP-12 complexes with FK506 and rapamycin.

1. Conformational heterogeneity within the Michaelis complex of lactate dehydrogenase.

2. Rapid protein fold determination using secondary chemical shifts and cross-hydrogen bond 15N-13C' scalar couplings (3hbJNC').

3. Direct NMR observation and DFT calculations of a hydrogen bond at the active site of a 44 kDa enzyme.

4. Observation of H-bond mediated 3hJH2H3 coupling constants across Watson-Crick AU base pairs in RNA.

5. NMR Observation of Intermolecular Hydrogen Bonds between Protein Tyrosine Side-Chain OH and DNA Phosphate Groups.

6. Dynamic ion pair behavior stabilizes single α-helices in proteins.

Review 7. Physicochemical Properties of Ion Pairs of Biological Macromolecules.

8. Direct NMR detection of bifurcated hydrogen bonding in the α-helix N-caps of ankyrin repeat proteins.

9. Helix-Capping Histidines: Diversity of N-H···N Hydrogen Bond Strength Revealed by (2h)JNN Scalar Couplings.