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Solution Structure of Tick Carboxypeptidase Inhibitor at pH 3.5
Authors
Pantoja-Uceda, D., Blanco, F.
Assembly
Tick Carboxypeptidase Inhibitor
Entity
1. Tick Carboxypeptidase Inhibitor (polymer, Thiol state: all disulfide bound), 75 monomers, 7935.021 Da Detail

NECVSKGFGC LPQSDCPQEA RLSYGGCSTV CCDLSKLTGC KGKGGECNPL DRQCKELQAE SASCGKGQKC CVWLH


Formula weight
7935.021 Da
Entity Connection
disulfide 6 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS3:SG1:CYS31:SG
2disulfidesing1:CYS10:SG1:CYS27:SG
3disulfidesing1:CYS16:SG1:CYS32:SG
4disulfidesing1:CYS40:SG1:CYS70:SG
5disulfidesing1:CYS47:SG1:CYS64:SG
6disulfidesing1:CYS54:SG1:CYS71:SG

Source organism
Rhipicephalus bursa
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 87.5 %, Completeness (bb): 99.4 % Detail

Polymer type: polypeptide(L)

Total1H
All87.5 % (370 of 423)87.5 % (370 of 423)
Backbone99.4 % (156 of 157)99.4 % (156 of 157)
Sidechain80.5 % (214 of 266)80.5 % (214 of 266)
Aromatic82.4 % (14 of 17)82.4 % (14 of 17)
Methyl96.0 % (24 of 25)96.0 % (24 of 25)

1. TCI

NECVSKGFGC LPQSDCPQEA RLSYGGCSTV CCDLSKLTGC KGKGGECNPL DRQCKELQAE SASCGKGQKC CVWLH

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 3.5


#NameIsotope labelingTypeConcentration
1TCInatural abundance1.00 mM
2D2O5 %
3H2Onatural abundance95 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2K2X, Strand ID: A Detail


Release date
2008-07-14
Citation
The NMR structure and dynamics of the two-domain tick carboxypeptidase inhibitor reveal flexibility in its free form and stiffness upon binding to human carboxypeptidase B
Pantoja-Uceda, D., Arolas, J., Garcia, P., Lopez-Hernandez, E., Padro, D., Aviles, F., Blanco, F.
Biochemistry (2008), 47, 7066-7078, PubMed 18558717 , DOI 10.1021/bi800403m ,
Related entities 1. Tick Carboxypeptidase Inhibitor, : 1 : 4 : 3 : 3 entities Detail
Experiments performed 2 experiments Detail
NMR combined restraints 3 contents Detail
Keywords TCI