BMRB: 36110

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

Authors

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

Assembly

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

Entity

1. PSTD-22AA-PolySia (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: 82.7 %, Completeness (bb): 81.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	82.7 % (235 of 284)	90.0 % (135 of 150)	71.4 % (80 of 112)	90.9 % (20 of 22)
Backbone	81.3 % (104 of 128)	95.3 % (41 of 43)	67.7 % (44 of 65)	95.0 % (19 of 20)
Sidechain	84.7 % (150 of 177)	87.9 % (94 of 107)	80.9 % (55 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	71.9 % (23 of 32)	93.8 % (15 of 16)	50.0 % (8 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 mM PSTD-22AA-PolySia, 0.25 mM PolySia, 40 v/v ethyl group deuterated trifluoroethanol-d5, trifluoroethanol/water

#	Name	Isotope labeling	Type	Concentration
1	PSTD-22AA-PolySia	natural abundance	protein	1 mM
2	PolySia	natural abundance		0.25 mM
3	trifluoroethanol-d3	[U-2H]	solvent	40 v/v
4	H2O	natural abundance	solvent	60 v/v

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Calculated from 20 models in PDB: 5Y3U, 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 in the Presence of Polysialic Acid (PolySia)
Liu, X.H., Lu, B., Liao, S.M., Lu, Z.L., Troy II, F.A., Zhou, G.P., Huang, R.B.

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

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

Experiments performed 4 experiments Detail