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1H and 15N chemical shift assignments for LEKTI domain one (HF6478)
Authors
Lauber, T., Adermann, K., Schulz, A., Forssmann, W.GEORG., Roesch, P., Marx, U.CHARLOTTE.
Assembly
LEKTI domain one
Entity
1. LEKTI domain one (polymer, Thiol state: all disulfide bound), 55 monomers, 6481.536 Da Detail

KNEDQEMCHE FQAFMKNGKL FCPQDKKFFQ SLDGIMFINK CATCKMILEK EAKSQ


Formula weight
6481.536 Da
Entity Connection
disulfide 2 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS8:SG1:CYS44:SG
2disulfidesing1:CYS22:SG1:CYS41:SG

Source organism
Homo sapiens
Exptl. method
NMR
Refine. method
SIMULATED ANNEALING
Data set
assigned_chemical_shifts, coupling_constants
Chem. Shift Complete1
Sequence coverage: 89.1 %, Completeness: 80.8 %, Completeness (bb): 87.9 % Detail

Polymer type: polypeptide(L)

Total1H15N
All80.8 % (349 of 432)80.0 % (296 of 370)85.5 % (53 of 62)
Backbone87.9 % (145 of 165)87.4 % (97 of 111)88.9 % (48 of 54)
Sidechain76.4 % (204 of 267)76.8 % (199 of 259)62.5 % (5 of 8)
Aromatic50.0 % (16 of 32)50.0 % (16 of 32)
Methyl62.5 % (10 of 16)62.5 % (10 of 16)

1. HF6478

KNEDQEMCHE FQAFMKNGKL FCPQDKKFFQ SLDGIMFINK CATCKMILEK EAKSQ

Sample #1

Temperature 298 (±1) K, pH 4.5 (±0.2)


#NameIsotope labelingTypeConcentration
1HF6478[U-15N]1.5 mM
Sample #2

Temperature 298 (±1) K, pH 4.5 (±0.2)


#NameIsotope labelingTypeConcentration
2HF64781.2 mM

Chem. Shift Complete2
Sequence coverage: 94.5 %, Completeness: 80.4 %, Completeness (bb): 77.0 % Detail

Polymer type: polypeptide(L)

Total1H15N
All80.4 % (695 of 864)85.5 % (633 of 740)50.0 % (62 of 124)
Backbone77.0 % (254 of 330)89.2 % (198 of 222)51.9 % (56 of 108)
Sidechain82.6 % (441 of 534)84.0 % (435 of 518)37.5 % (6 of 16)
Aromatic65.6 % (42 of 64)65.6 % (42 of 64)
Methyl81.3 % (26 of 32)81.3 % (26 of 32)

1. HF6478

KNEDQEMCHE FQAFMKNGKL FCPQDKKFFQ SLDGIMFINK CATCKMILEK EAKSQ

Sample #1

Temperature 298 (±1) K, pH 4.5 (±0.2)


#NameIsotope labelingTypeConcentration
1HF6478[U-15N]1.5 mM
Sample #2

Temperature 298 (±1) K, pH 4.5 (±0.2)


#NameIsotope labelingTypeConcentration
2HF64781.2 mM

Protein Blocks Logo
Calculated from 21 models in PDB: 1HDL, Strand ID: A Detail


Coupling constant
13 J values in 1 lists
Temperature 298 (±1) K, pH 4.5 (±0.2) Detail
Release date
2000-12-05
Citation 1
Homologous proteins with different folds: the three-dimensional structures of domains 1 and 6 of the multiple Kazal-type inhibitor LEKTI
Lauber, T., Schulz, A., Schweimer, K., Adermann, K., Marx, U.CHARLOTTE.
J. Mol. Biol. (2003), 328, 205-219, PubMed 12684009 , DOI: ,
Citation 2
NMRView: A computer program for the visualization and analysis of NMR data
Johnson, B.A., Blevins, R.A.
J. Biomol. NMR (1994), 4, 603-614
Related entities 1. LEKTI domain one, : 1 : 2 : 1 : 83 entities Detail
Experiments performed 8 experiments Detail
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