Protein Structures Determined by NMR - ESI

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Chemical shifts and 2°structure* One can often quickly determine the 1 H, 15 N and 13 Cchemical shifts with triple resonance experiments.* There is a correlation between chemical shift deviations andsecondary structure elements.* These deviations are from random coil values* Most important ones are CO, HA and CA.For a good recent reference on measuring chemical shift of amino acids in randomcoils see: Schwarzinger et al, J. Am. Chem. Soc 121, 2970-2978 (2001)
Correlation between 2°Structure and 13 C ShiftsDeviations from random coil valuesReference: Spera and Bax, J. Am. Chem. Soc. 113, 5490-5492 (1991)
Page 2: Effect of Deuteration on Relaxation
Page 5: Automated Analysis of NMR Assignmen
Page 10: Protein Structures Determined by NM
Page 13 and 14: Protein Structures Determined by NM
Page 17 and 18: ond N HNbond N CA bond CA HAbond CA
Page 21 and 22: Outline of Structure Calculation Pr
Page 23 and 24: The NOESY Spectra- The NOESY spectr
Page 25 and 26: Types of NOESY Spectra3D 15 N-NOESY
Page 27 and 28: NOEs in Structure Determination- Si
Page 29 and 30: NOEs in Structure Determination- In
Page 31 and 32: NOE Patterns in α-Helices and β-S
Page 33 and 34: Parallel β-sheet
Page 35 and 36: NOE patterns is β-sheet
Page 37 and 38: Type I turn
Page 39 and 40: NOEs in β turns
Page 41 and 42: Pictorial of NOEs in a structure
Page 43 and 44: Correlation between 3 J hnα and 2
Page 45 and 46: TALOS* Database system for empirica
Page 47 and 48: The TALOS triplet systemTALOS searc
Page 49: Example of TALOS output
Page 53 and 54: CSI RANDOM COIL VALUESRES HA C CA C
Page 55 and 56: Example of CSI analysisCα COResidu
Page 57 and 58: • Currently, there is no experime
Page 59 and 60: Hydrogen bonds is β-sheet
Page 61 and 62: Residual Dipolar CouplingsPrestegar
Page 63 and 64: RDCs:Weak alignment media (bicelle)
Page 65 and 66: RDCs: Tunable alignment media (Phag
Page 67 and 68: RDCs: Determining alignment tensorB
Page 69 and 70: RDCs and structure validationBax, P
Page 71 and 72: Protein Structure Determination by
Page 73 and 74: Validation of StructuresPROCHECK NM
Page 75 and 76: Structural Studies in Drug Design
Page 77 and 78: Role of X-ray crystallography• Ca
Page 79 and 80: Why is it so hard?• Proteins exis
Page 81 and 82: Outline of SAR by NMR
Page 83 and 84: Outline of SAR by NMRShuker et al.,
Page 85 and 86: Outline of SAR by NMRShuker et al.,
Page 87 and 88: SAR by NMR applied to Bcl-x L • B
Page 89 and 90: Affinities of selected biaryl compo
Page 91 and 92: Identification of first Bcl-x L sit
Page 93 and 94: Napthol analog bound to Bcl-x LBlac
Page 95 and 96: SAR by NMR applied to Bcl-x L Petro

Protein Structures Determined by NMR - ESI

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