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Backbone 1H, 13C, 15N assignments for hirugen bound PPACKed thrombin
Authors
Lechtenberg, B.C., Johnson, D.J.D., Freund, S.M., Huntington, J.A.
Assembly
Thrombin
Entity
1. Thrombin (polymer, Thiol state: all disulfide bound), 295 monomers, 33810.31 Da Detail

TFGSGEADCG LRPLFEKKSL EDKTERELLE SYIDGRIVEG SDAEIGMSPW QVMLFRKSPQ ELLCGASLIS DRWVLTAAHC LLYPPWDKNF TENDLLVRIG KHSRTRYERN IEKISMLEKI YIHPRYNWRE NLDRDIALMK LKKPVAFSDY IHPVCLPDRE TAASLLQAGY KGRVTGWGNL KETWTANVGK GQPSVLQVVN LPIVERPVCK DSTRIRITDN MFCAGYKPDE GKRGDACEGD SGGPFVMKSP FNNRWYQMGI VSWGEGCDRD GKYGFYTHVF RLKKWIQKVI DQFGE


2. Hirugen (polymer, Thiol state: not present), 12 monomers, 1468.516 Da Detail

GDFEEIPEEY LQ


3. PPACK (polymer, Thiol state: not present), 4 monomers, 527.4432 Da Detail

FPRX


4. NA (non-polymer, Thiol state: not present), 22.990 Da
Total weight
35829.254 Da
Max. entity weight
33810.31 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 89.1 %, Completeness: 31.0 %, Completeness (bb): 58.9 % Detail

Polymer type: polypeptide(D) polypeptide(L)

Total1H13C15N
All31.0 % (1159 of 3733)17.4 % (339 of 1948)39.0 % (562 of 1441)75.0 % (258 of 344)
Backbone58.9 % (1060 of 1799)42.6 % (257 of 603)60.5 % (546 of 903)87.7 % (257 of 293)
Sidechain15.9 % (352 of 2217) 6.0 % (81 of 1345)32.9 % (270 of 821) 2.0 % (1 of 51)
Aromatic 0.0 % (0 of 354) 0.0 % (0 of 177) 0.0 % (0 of 168) 0.0 % (0 of 9)
Methyl 9.5 % (28 of 294) 7.5 % (11 of 147)11.6 % (17 of 147)

1. Thrombin

TFGSGEADCG LRPLFEKKSL EDKTERELLE SYIDGRIVEG SDAEIGMSPW QVMLFRKSPQ ELLCGASLIS DRWVLTAAHC LLYPPWDKNF TENDLLVRIG KHSRTRYERN IEKISMLEKI YIHPRYNWRE NLDRDIALMK LKKPVAFSDY IHPVCLPDRE TAASLLQAGY KGRVTGWGNL KETWTANVGK GQPSVLQVVN LPIVERPVCK DSTRIRITDN MFCAGYKPDE GKRGDACEGD SGGPFVMKSP FNNRWYQMGI VSWGEGCDRD GKYGFYTHVF RLKKWIQKVI DQFGE

2. Hirugen

GDFEEIPEEY LQ

3. PPACK

FPRX

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4


#NameIsotope labelingTypeConcentration
1Thrombin[U-13C; U-15N; U-2H]100 uM
2Hirugennatural abundance110 uM
3PPACKnatural abundance100 uM
4sodium phosphatenatural abundance50 mM
5H2Onatural abundance95 %
6D2Onatural abundance5 %

LACS Plot; CA
Referencing offset: 3.26 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: 3.26 ppm, Outliers: 1 Detail
Release date
2010-07-25
Citation
NMR resonance assignments of thrombin reveal the conformational and dynamic effects of ligation
Lechtenberg, B.C., Johnson, D.J.D., Freund, S.M.V., Huntington, J.A.
Proc. Natl. Acad. Sci. U. S. A. (2010), 107, 14087-14092, PubMed 20660315 , DOI 10.1073/pnas.1005255107 ,
Related entities 2. Hirugen, : 11 entities Detail
Experiments performed 5 experiments Detail