BMRB: 5301

Principles of Mucin Architecture: Structural Studies on Synthetic Glycopeptides Bearing Clustered Mono-,Di, Tri-, and Hexasacchraride Glycodomains

Authors

Coltart, D.M., Royyuru, A.K., Williams, L.J., Glunz, P.W., Sames, D., Kuduk, S.D., Schwarz, J.B., Chen, X., Danishefsky, S.D., Live, D.H.

Assembly

Leukosialin (CD43) fragment

Entity

1. Leukosialin (CD43) fragment (polymer, Thiol state: not present), 6 monomers, 503.5466 Da Detail

XSTTAV

2. A2G (non-polymer), 221.208 × 3 Da

Total weight

1167.1705 Da

Max. entity weight

503.5466 Da

Entity Connection

ether 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	ether	sing	1:SER2:OG	2:A2G1:C1
2	ether	sing	1:THR3:OG1	2:A2G1:C1
3	ether	sing	1:THR4:OG1	2:A2G1:C1

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

VNMR, NMRPIPE, X-PLOR, Torsion Space Simulated Annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 83.3 %, Completeness: 87.2 %, Completeness (bb): 80.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	87.2 % (34 of 39)	100.0 % (20 of 20)	73.7 % (14 of 19)
Backbone	80.0 % (20 of 25)	100.0 % (10 of 10)	66.7 % (10 of 15)
Sidechain	100.0 % (19 of 19)	100.0 % (10 of 10)	100.0 % (9 of 9)
Methyl	100.0 % (10 of 10)	100.0 % (5 of 5)	100.0 % (5 of 5)

1. Leukosialin (CD43) fragment

XSTTAV

Show sample condition

Sample

Pressure 1 atm, Temperature 291 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Leukosialin (CD43) fragment			10 mM
2	N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE			30 mM
3	H2O			90 %
4	D2O			10 %

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Protein Blocks Logo

Calculated from 59 models in PDB: 1KYJ, Strand ID: A Detail

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Release date

2008-07-16

Citation

Principles of mucin architecture: structural studies on synthetic glycopeptides bearing clustered mono-, di-, tri-, and hexasaccharide glycodomains
Coltart, D.M., Royyuru, A.K., Williams, L.J., Glunz, P.W., Sames, D., Kuduk, S.D., Schwarz, J.B., Chen, X., Danishefsky, S.D., Live, D.H.
J. Am. Chem. Soc. (2002), 124, 9833-9844, PubMed 12175243 , Abstract

Experiments performed 2 experiments Detail