BMRB: 6963

1H Chemical Shift Assignments for the Second Kunitz domain of human WFIKKN1, Pro61 in cis- or trans- conformation

Authors

Liepinsh, E., Otting, G.

Assembly

Second Kunitz domain of human WFIKKN1

Entity

1. Second Kunitz domain of human WFIKKN1 (polymer, Thiol state: all disulfide bound), 70 monomers, 7867.509 × 2 Da Detail

EAEAEFTDAC VLPAVQGPCR GWEPRWAYSP LLQQCHPFVY GGCEGNGNNF HSRESCEDAC PVVDHHHHHH

Total weight

15735.018 Da

Max. entity weight

7867.509 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.9 %, Completeness: 91.2 %, Completeness (bb): 91.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	91.2 % (363 of 398)	91.2 % (363 of 398)
Backbone	91.4 % (128 of 140)	91.4 % (128 of 140)
Sidechain	91.1 % (235 of 258)	91.1 % (235 of 258)
Aromatic	74.5 % (38 of 51)	74.5 % (38 of 51)
Methyl	100.0 % (23 of 23)	100.0 % (23 of 23)

1. second Kunitz domain

EAEAEFTDAC VLPAVQGPCR GWEPRWAYSP LLQQCHPFVY GGCEGNGNNF HSRESCEDAC PVVDHHHHHH

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Sample

Temperature 298 (±0.5) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	second Kunitz domain	none	protein	1.1 (±0.1) mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 2DDJ, Strand ID: A Detail

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Release date

2006-06-27

Citation

Second Kunitz-type protease inhibitor domain of the human WFIKKN1 protein
Liepinsh, E., Nagy, A., Trexler, M., Patthy, L., Otting, G.
J. Biomol. NMR (2006), 35, 73-78, PubMed 16791741 , DOI 10.1007/s10858-006-9013-1 , Abstract

Related entities 1. Second Kunitz domain of human WFIKKN1, : 1 : 1 : 107 entities Detail

Experiments performed 3 experiments Detail