BMRB: 4516

Solution Structure of the PDZ2 Domain from Human Phosphatase hPTP1E and its Interactions with C-terminal Peptides from the Fas Receptor

Authors

Kozlov, G., Gehring, K., Ekiel, I.

Assembly

HUMAN PHOSPHATASE HPTP1E/PEPTIDE

Entity

1. HUMAN PHOSPHATASE HPTP1E (polymer, Thiol state: not present), 96 monomers, 10006.14 Da Detail

PKPGDIFEVE LAKNDNSLGI SVTGGVNTSV RHGGIYVKAV IPQGAAESDG RIHKGDRVLA VNGVSLEGAT HKQAVETLRN TGQVVHLLLE KGQSPT

2. peptide (polymer, Thiol state: not present), 15 monomers, 1610.587 Da Detail

FADSEADENE QVSAV

Total weight

11616.727 Da

Max. entity weight

10006.14 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 86.5 %, Completeness: 64.4 %, Completeness (bb): 72.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	64.4 % (769 of 1195)	73.8 % (453 of 614)	48.8 % (226 of 463)	76.3 % (90 of 118)
Backbone	72.0 % (474 of 658)	86.6 % (200 of 231)	57.5 % (184 of 320)	84.1 % (90 of 107)
Sidechain	59.2 % (376 of 635)	66.1 % (253 of 383)	51.0 % (123 of 241)	0.0 % (0 of 11)
Aromatic	29.5 % (13 of 44)	59.1 % (13 of 22)	0.0 % (0 of 22)
Methyl	75.0 % (105 of 140)	90.0 % (63 of 70)	60.0 % (42 of 70)

1. HUMAN PHOSPHATASE HPTP1E

PKPGDIFEVE LAKNDNSLGI SVTGGVNTSV RHGGIYVKAV IPQGAAESDG RIHKGDRVLA VNGVSLEGAT HKQAVETLRN TGQVVHLLLE KGQSPT

2. peptide

FADSEADENE QVSAV

Show sample condition

Sample #1

Pressure 1 atm, Temperature 293 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	HUMAN PHOSPHATASE HPTP1E	[U-15N]		1.0 ~ 5.0 mM
2	peptide			1.2 ~ 6.0 mM

Sample #2

Pressure 1 atm, Temperature 293 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	HUMAN PHOSPHATASE HPTP1E			1.0 ~ 5.0 mM
4	peptide			1.2 ~ 6.0 mM

Sample #3

Pressure 1 atm, Temperature 293 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	HUMAN PHOSPHATASE HPTP1E	[U-13C; U-15N]		1.0 ~ 5.0 mM
6	peptide			1.2 ~ 6.0 mM

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LACS Plot; CA

Referencing offset: 1.6 ppm, Outliers: 1 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 protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 1.6 ppm, Outliers: 1 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 protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.07 ppm, Outliers: 1 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 protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 1D5G, Strand ID: A, B Detail

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Coupling constant

71 J values in 1 lists
Pressure 1 atm, Temperature 293 (±1) K, pH 6.8 (±0.2) Detail

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Pressure 1 atm, Temperature 293 (±1) K, pH 6.8 (±0.2)

List #1 coupling_constants

Release date

2000-12-14

Citation

Solution Structure of the PDZ2 Domain from Human Phosphatase hPTP1E and its Interactions with C-terminal Peptides from the Fas Receptor
Kozlov, G., Gehring, K., Ekiel, I.
Biochemistry (2000), 39, 2572-2580, PubMed , DOI:

Related entities 1. HUMAN PHOSPHATASE HPTP1E, : 2 : 430 entities Detail

Related entities 2. peptide, : 1 : 4 entities Detail

Interaction partners 1. HUMAN PHOSPHATASE HPTP1E, : 27 : 1 interactors Detail

Interaction partners 2. peptide, : 11 : 1 interactors Detail

Experiments performed 3 experiments Detail