BMRB: 36109

NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV

Authors

Lu, B., Liao, S.M., Huang, J.M., Lu, Z.L., Chen, D., Liu, X.H., Zhou, G.P., Huang, R.B.

Assembly

22AA-PSTD peptide (E.C.2.4.99.-)

Entity

1. 22AA-PSTD peptide (E.C.2.4.99.-) (polymer, Thiol state: not present), 22 monomers, 2618.131 Da Detail

LRLIHAVRGY WLTNKVPIKR PS

Formula weight

2618.131 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 81.3 %, Completeness (bb): 77.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	81.3 % (231 of 284)	88.0 % (132 of 150)	71.4 % (80 of 112)	86.4 % (19 of 22)
Backbone	77.3 % (99 of 128)	93.0 % (40 of 43)	63.1 % (41 of 65)	90.0 % (18 of 20)
Sidechain	84.7 % (150 of 177)	86.0 % (92 of 107)	83.8 % (57 of 68)	50.0 % (1 of 2)
Aromatic	100.0 % (24 of 24)	100.0 % (12 of 12)	100.0 % (11 of 11)	100.0 % (1 of 1)
Methyl	84.4 % (27 of 32)	93.8 % (15 of 16)	75.0 % (12 of 16)

1. entity 1

LRLIHAVRGY WLTNKVPIKR PS

Show sample condition

Sample

Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.0 mM 22AA-PSTD peptide, 40 % trifluoroethanol-d3, trifluoroethanol/water

#	Name	Isotope labeling	Type	Concentration
1	22AA-PSTD peptide	natural abundance	protein	1.0 mM
2	trifluoroethanol-d3	[U-2H]	solvent	40 %
3	H2O	natural abundance	solvent	60 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 5Y22, Strand ID: A Detail

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Release date

2017-12-24

Citation

NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV
Lu, B., Liao, S.M., Chen, D., Liu, X.H., Zhou, G.P., Huang, R.B.

Related entities 1. 22AA-PSTD peptide (E.C.2.4.99.-), : 1 : 8 : 9 entities Detail

Interaction partners 1. 22AA-PSTD peptide (E.C.2.4.99.-), : 2 interactors Detail

Experiments performed 4 experiments Detail