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Solution structure, dynamics and binding studies of CtCBM11
Authors
Viegas, A., Cabrita, E.J.
Assembly
CtCBM11
Entity
1. CtCBM11 (polymer, Thiol state: all free), 172 monomers, 18944.93 Da Detail

MASAVGEKML DDFEGVLNWG SYSGEGAKVS TKIVSGKTGN GMEVSYTGTT DGYWGTVYSL PDGDWSKWLK ISFDIKSVDG SANEIRFMIA EKSINGVGDG EHWVYSITPD SSWKTIEIPF SSFRRRLDYQ PPGQDMSGTL DLDNIDSIHF MYANNKSGKF VVDNIKLIGA LE


2. CtCBM11, entity CA (non-polymer), 40.078 × 2 Da
Total weight
19025.086 Da
Max. entity weight
18944.93 Da
Source organism
Acetivibrio thermocellus
Exptl. method
solution NMR
Refine. method
molecular dynamics
Data set
assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, order_parameters
Chem. Shift Complete
Sequence coverage: 97.7 %, Completeness: 91.7 %, Completeness (bb): 96.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All91.7 % (1795 of 1958)92.8 % (935 of 1008)89.2 % (684 of 767)96.2 % (176 of 183)
Backbone96.7 % (988 of 1022)96.1 % (345 of 359)97.2 % (482 of 496)96.4 % (161 of 167)
Sidechain87.7 % (954 of 1088)90.9 % (590 of 649)82.5 % (349 of 423)93.8 % (15 of 16)
Aromatic68.0 % (140 of 206)86.4 % (89 of 103)47.4 % (46 of 97)83.3 % (5 of 6)
Methyl92.7 % (152 of 164)92.7 % (76 of 82)92.7 % (76 of 82)

1. CtCBM11

MASAVGEKML DDFEGVLNWG SYSGEGAKVS TKIVSGKTGN GMEVSYTGTT DGYWGTVYSL PDGDWSKWLK ISFDIKSVDG SANEIRFMIA EKSINGVGDG EHWVYSITPD SSWKTIEIPF SSFRRRLDYQ PPGQDMSGTL DLDNIDSIHF MYANNKSGKF VVDNIKLIGA LE

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5


#NameIsotope labelingTypeConcentration
1CtCBM11[U-13C; U-15N]1 mM
2potassium phosphatenatural abundance0.75 mM

LACS Plot; CA
Referencing offset: 2.78 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 2.78 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: 0.0 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 3.31 ppm, Outliers: 3 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2LRO, Strand ID: A Detail


Heteronucl. T1
156 T1 values in 1 lists
Coherence Iz, Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail
Heteronucl. T2
156 T2 values in 1 lists
Coherence I(+,-), Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail
Heteronucl. NOE
156 NOE values in 1 lists
Value type relative intensities, Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail
Heteronucl. T1/T2
156 T1/T2 values in 1 lists
Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail
Order parameters
156 S2 values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 7.5 Detail
Release date
2012-04-17
Citation
Solution structure, dynamics and binding studies of a family 11 carbohydrate-binding module from Clostridium thermocellum (CtCBM11)
Viegas, A., Sardinha, J., Freire, F., Duarte, D.F., Carvalho, A.L., Fontes, C., Romao, M.J., Macedo, A.L., Cabrita, E.J.
Biochem. J. (2013), 451, 289-300, PubMed 23356867 , DOI 10.1042/BJ20120627 ,
Related entities 1. CtCBM11, : 1 : 3 : 1 : 2 entities Detail
Experiments performed 11 experiments Detail
NMR combined restraints 3 contents Detail
Keywords C. thermocellum, Cellulosome, CtCBM11, Dynamics, NMR