Structure-based assignment

Structure-Based Assignment (SBA) is a technique to accelerate the resonance assignment which is a key bottleneck of NMR (Nuclear magnetic resonance) structural biology.{{cite journal|last=Bartels|first=Christian|author2=Billeter, Martin|author3=Guentert, Peter|author4=Wuethrich, Kurt|title=Automated sequence-specific NMR assignment of homologous proteins using the program GARANT|journal=Journal of Biomolecular NMR|date=30 April 1996|volume=7|issue=3|pages=207–13|doi=10.1007/BF00202037|pmid=22911044|s2cid=9450778 }} A homologous (similar) protein is used as a template to the target protein in SBA. This template protein provides prior structural information about the target protein and leads to faster resonance assignment . By analogy, in X-ray Crystallography, the molecular replacement technique allows solution of the crystallographic phase problem when a homologous structural model is

known, thereby facilitating rapid structure determination.{{citation

| last1 = Rossman| first1 = M. G.

| last2 = Blow| first2 = D. M.

| journal = Acta Crystallogr. D

| pages = 24–31

| title =The detection of sub-units within the crystallographic asymmetric unit

| volume = 15

| date = 1962

| doi=10.1107/s0365110x62000067

| citeseerx = 10.1.1.319.3019

}}. Some of the SBA algorithms

are CAP which is an RNA assignment algorithm which performs an exhaustive search over

all permutations,{{citation

| last1 = Al-Hashimi| first1 = H. M.

| last2 = Gorin| first2 = A.

| last3 = Majumdar| first3 = A.

| last4 = Gosser| first4 = Y.

| last5 = Patel| first5 = D. J.

| issue=3

| journal = J. Mol. Biol.

| pages = 637–649

| title =Towards structural genomics of RNA: Rapid NMR resonance assignment and simultaneous RNA tertiary structure determination using residual dipolar couplings

| volume=318

| date = 2002| doi=10.1016/s0022-2836(02)00160-2| pmid=12054812

}}. MARS which is a program for robust automatic backbone assignment {{citation

| last1 = Jung| first1 = Y.

| last2 = Zweckstetter| first2 = M.

| issue = 1

| journal = Journal of Biomolecular NMR

| pages = 11–23

| title =Mars - robust automatic backbone assignment of proteins

| volume = 30

| date = 2004

| doi=10.1023/b:jnmr.0000042954.99056.ad

| pmid = 15452431

| hdl = 11858/00-001M-0000-0012-EC52-9

| s2cid = 3006904

| hdl-access = free

}}. and Nuclear Vector Replacement (NVR) which is a molecular replacement like approach for SBA of resonances and

sparse Nuclear Overhauser Effect (NOE)'s.{{citation

| last1 = Langmead| first1 = C. J.

| last2= Yan| first2= A.

| last3= Lilien| first3= R.

| last4= Wang| first4= L.

| last5 = Donald | first5 = B. R.

| issue = 2–3

| journal = J. Comp. Bio.

| pages = 277–98

| title =A polynomial-time nuclear vector replacement algorithm for automated NMR resonance assignments

| volume = 11

| date = 2004| doi=10.1089/1066527041410436

| pmid = 15285893

| citeseerx = 10.1.1.15.8054

}}.{{citation

| last1 = Langmead| first1 = C. J.

| last2 = Donald | first2 = B. R.

| issue = 2

| journal = J. Comp. Bio.

| pages = 111–138

| title =An Expectation/Maximization Nuclear Vector Replacement Algorithm for Automated NMR Resonance Assignments

| volume = 29

| date = 2004

| doi=10.1023/b:jnmr.0000019247.89110.e6

| pmid = 15014227

| citeseerx = 10.1.1.630.1110

| s2cid = 12443551

}}.{{citation

| last1 = Apaydin | first1 = M. S.

| last2 = Catay | first2 = B.

| last3 = Patrick | first3 = N.

| last4 = Donald | first4 = B. R.

| doi= 10.1093/comjnl/bxp120

| pmid = 25580019

| issue = January

| pages = 708–716

| journal = The Computer Journal

| title = NVR-BIP: nuclear vector replacement using binary integer programming for NMR structure-based assignments

| date =2010 | volume=54| pmc = 4287374}}.

References

{{Reflist}}

Category:Nuclear magnetic resonance

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