Question from NMRWiki Q&A forum Aminoacid residue identification or assignment of protein from 3D NMR Experments

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[Question from NMRWiki Q&A forum] Aminoacid residue identification or assignment of protein from 3D NMR Experments

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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05-15-2011, 08:19 PM

nmrlearner

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Aminoacid residue identification or assignment of protein from 3D NMR Experments

Aminoacid residue identification or assignment of protein from 3D NMR Experments

Dear NMR Wiki'ers

I am identifying aminoacid residues or assignment of protein from following 3D NMR experments

HNCA/HNCOCA - Glycine (45 ppm )

CBCANH/CBCACONH - Alanine (52-CA , 19 - CB ), Serine,threonine - ( CA-58.57 , CB - 64 or 70 )

HBHACONH - Alanine , valine give (HB,HA all positives ) , glycine - (HA all negatives ) and serinie ,threinine - single postive on 700 vnmrj

apart from above aminioacid residues Could you please give any information about aminoacid residue identification by using 3d nmr experments .

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