BMRB: 30614

CS-Rosetta Model of PEA-15 Death Effector Domain in the Complex with ERK2

Authors

Wei, Y., Crespo Flores, S., Cabezas, A., Hassan, S.

Assembly

Astrocytic phosphoprotein PEA-15

Entity

1. Astrocytic phosphoprotein PEA-15 (polymer), 130 monomers, 15039.91 Da Detail

MAEYGTLLQD LTNNITLEDL EQLKSACKED IPSEKSEEIT TGSAWFSFLE SHNKLDKDNL SYIEHIFEIS RRPDLLTMVV DYRTRVLKIS EEDELDTKLT RIPSAKKYKD IIRQPSEEEI IKLAPPPKKA

Formula weight

15039.91 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.4 %, Completeness: 33.8 %, Completeness (bb): 62.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	33.8 % (530 of 1567)	19.7 % (162 of 824)	41.2 % (252 of 612)	88.5 % (116 of 131)
Backbone	62.0 % (475 of 766)	48.2 % (123 of 255)	60.8 % (236 of 388)	94.3 % (116 of 123)
Sidechain	18.3 % (170 of 929)	6.9 % (39 of 569)	37.2 % (131 of 352)	0.0 % (0 of 8)
Aromatic	12.2 % (10 of 82)	12.2 % (5 of 41)	12.5 % (5 of 40)	0.0 % (0 of 1)
Methyl	10.0 % (15 of 150)	6.7 % (5 of 75)	13.3 % (10 of 75)

1. entity 1

MAEYGTLLQD LTNNITLEDL EQLKSACKED IPSEKSEEIT TGSAWFSFLE SHNKLDKDNL SYIEHIFEIS RRPDLLTMVV DYRTRVLKIS EEDELDTKLT RIPSAKKYKD IIRQPSEEEI IKLAPPPKKA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 10 mM sodium phosphate, 150 mM sodium chloride, 0.1 mM DTT, 50 uM sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		0.1 mM
5	sodium azide	natural abundance		50 uM

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LACS Plot; CA

Referencing offset: 0.37 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl carbons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	liquid anhydrous ammonia	nitrogen	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.37 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl carbons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	liquid anhydrous ammonia	nitrogen	0.0 ppm	internal	indirect	0.1013291

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Protein Blocks Logo

Calculated from 10 models in PDB: 6P6C, Strand ID: A Detail

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Release date

2019-07-14

Citation

PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions
Crespo Flores, S., Cabezas, A., Hassan, S., Wei, Y.
Int. J. Mol. Sci. (2019), 20, 3335-3335, PubMed 31284641 , DOI 10.3390/ijms20133335 , Abstract

Related entities 1. Astrocytic phosphoprotein PEA-15, : 1 : 5 : 2 : 17 entities Detail

Interaction partners 1. Astrocytic phosphoprotein PEA-15, : 13 interactors Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail