BMRB: 26005

Solution Structure of N-Allosylated Pin1 WW Domain

Authors

Hsu, C., Park, S., Mortenson, D.E., Foley, L.B., Wang, X., Woods, R.J., Case, D.A., Powers, E.T., Wong, C., Dyson, J.H., Kelly, J.W.

Assembly

N-Allosylated Pin1 WW Domain

Entity

1. N-Allosylated Pin1 WW Domain, entity (polymer, Thiol state: not present), 33 monomers, 3844.271 Da Detail

KLPPGWEKRM FANGTVYYFN HITNASQFER PSG

2. D-ALLOPYRANOSE (non-polymer), 180.156 Da

Total weight

4024.427 Da

Max. entity weight

3844.271 Da

Entity Connection

covalent 1 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:ASN13:ND2	2:ALL1:C1'

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: 97.2 %, Completeness (bb): 98.5 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H
All	97.2 % (207 of 213)	97.2 % (207 of 213)
Backbone	98.5 % (65 of 66)	98.5 % (65 of 66)
Sidechain	96.6 % (142 of 147)	96.6 % (142 of 147)
Aromatic	93.5 % (29 of 31)	93.5 % (29 of 31)
Methyl	100.0 % (10 of 10)	100.0 % (10 of 10)

1. entity

KLPPGWEKRM FANGTVYYFN HITNASQFER PSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Pin WW Domain Peptide	natural abundance	protein	1.5 uM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 2NC3, Strand ID: A Detail

---

Release date

2016-06-02

Citation

The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate
Hsu, C., Park, S., Mortenson, D.E., Foley, L.B., Wang, X., Woods, R.J., Case, D.A., Powers, E.T., Wong, C., Dyson, J.H., Kelly, J.W.
J. Am. Chem. Soc. (2016), 138, 7636-7648, PubMed 27249581 , DOI 10.1021/jacs.6b02879 , Abstract

Related entities 1. N-Allosylated Pin1 WW Domain, entity, : 1 : 5 : 503 entities Detail

Interaction partners 1. N-Allosylated Pin1 WW Domain, entity, : 141 interactors Detail

Experiments performed 3 experiments Detail