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Proton and nitrogen chemical shift assignments for the chitin-binding domain of Bacillus circulans WL-12 Chitinase A1
Authors
Ikegami, T., Okada, T., Hashimoto, M., Seino, S., Watanabe, T., Shirakawa, M.
Assembly
ChBD-ChiA1
Entity
1. ChBD-ChiA1 (polymer, Thiol state: all free), 59 monomers, 6274.019 Da Detail

MASMTGGGGM GRGSAWQVNT AYTAGQLVTY NGKTYKCLQP HTSLAGWEPS NVPALWQLQ


Formula weight
6274.019 Da
Source organism
Niallia circulans
Exptl. method
NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts, coupling_constants
Chem. Shift Complete
Sequence coverage: 79.7 %, Completeness: 75.8 %, Completeness (bb): 71.7 % Detail

Polymer type: polypeptide(L)

Total1H15N
All75.8 % (304 of 401)75.4 % (252 of 334)77.6 % (52 of 67)
Backbone71.7 % (129 of 180)71.0 % (88 of 124)73.2 % (41 of 56)
Sidechain79.2 % (175 of 221)78.1 % (164 of 210)100.0 % (11 of 11)
Aromatic77.1 % (27 of 35)75.0 % (24 of 32)100.0 % (3 of 3)
Methyl92.9 % (26 of 28)92.9 % (26 of 28)

1. CHITINASE A1

MASMTGGGGM GRGSAWQVNT AYTAGQLVTY NGKTYKCLQP HTSLAGWEPS NVPALWQLQ

Sample

Pressure 1 atm, Temperature 310 (±0.5) K, pH 6.0 (±0.1)


#NameIsotope labelingTypeConcentration
1CHITINASE A1[U-15N]2.0 mM
2KH2PO4/K2HPO410 mM
3dithiothreitol[U-2H]10 mM
4H2O90 %
5D2O10 %

Protein Blocks Logo
Calculated from 30 models in PDB: 1ED7, Strand ID: A Detail


Coupling constant
31 J values in 1 lists
Pressure 1 atm, Temperature 310 (±0.5) K, pH 6.0 (±0.1) Detail
Release date
2000-11-28
Citation
Solution structure of the chitin-binding domain of Bacillus circulans WL-12 chitinase A1
Ikegami, T., Okada, T., Hashimoto, M., Seino, S., Watanabe, T., Shirakawa, M.
J. Biol. Chem. (2000), 275, 13654-13661, PubMed 10788483 , DOI 10.2210/pdb1ed7/pdb ,
Related entities 1. ChBD-ChiA1, : 14 entities Detail
Experiments performed 5 experiments Detail
nullKeywords twisted beta-sandwich, CBD, cellulose, ChBD, chitin binding domain, ChiA1, chitinase A1, NMR