BMRB: 15453

FBP28WW2 domain in complex with the PPLIPPPP peptide

Authors

Ramirez-Espain, X., Ruiz, L., Martin-Malpartida, P., Oschkinat, H., Macias, M.J.

Assembly

FBP28WW2-PPLIPPPP

Entity

1. FBP28WW2 (polymer, Thiol state: not present), 37 monomers, 4359.668 Da Detail

GATAVSEWTE YKTADGKTYY YNNRTLESTW EKPQELK

2. ligand (polymer, Thiol state: not present), 9 monomers, 884.0708 Da Detail

GPPLIPPPP

Total weight

5243.739 Da

Max. entity weight

4359.668 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 84.3 %, Completeness (bb): 94.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	84.3 % (242 of 287)	84.3 % (242 of 287)
Backbone	94.3 % (83 of 88)	94.3 % (83 of 88)
Sidechain	79.9 % (159 of 199)	79.9 % (159 of 199)
Aromatic	100.0 % (28 of 28)	100.0 % (28 of 28)
Methyl	94.7 % (18 of 19)	94.7 % (18 of 19)

1. FBP28WW2

GATAVSEWTE YKTADGKTYY YNNRTLESTW EKPQELK

2. ligand

GPPLIPPPP

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	FBP28WW2	natural abundance		1 mM
2	ligand	natural abundance		1 mM
3	sodium phosphate	natural abundance		100 mM
4	sodium chloride	natural abundance		50 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 285 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
5	FBP28WW2	natural abundance		1 mM
6	ligand	natural abundance		1 mM
7	sodium phosphate	natural abundance		100 mM
8	sodium chloride	natural abundance		50 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
9	FBP28WW2	[U-100% 15N]		1 mM
10	ligand	[U-100% 15N]		1 mM
11	sodium phosphate	natural abundance		100 mM
12	sodium chloride	natural abundance		50 mM

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Protein Blocks Logo

Calculated from 10 models in PDB: 2JUP, Strand ID: P, W Detail

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Release date

2008-06-24

Citation

Structural characterization of a new binding motif and a novel binding mode in group 2 WW domains
Ramirez-Espain, X., Ruiz, L., Martin-Malpartida, P., Oschkinat, H., Macias, M.J.
J. Mol. Biol. (2007), 373, 1255-1268, PubMed 17915251 , DOI 10.1016/j.jmb.2007.08.052 , Abstract

Related entities 1. FBP28WW2, : 5 : 104 entities Detail

Experiments performed 6 experiments Detail