BMRB: 6060

1H, 13C, and 15N Chemical Shift Assignments for a complex of PDZ2 from PTP-BL with the C-terminus of APC (adenomatous polyposis coli)

Authors

Walma, T., Vuister, G.W.

Assembly

PDZ2 from PTP-BL

Entity

1. Second PDZ domain from PTP-BL (polymer, Thiol state: not present), 102 monomers, 10837.16 Da Detail

MHHHHHHMKP GDTFEVELAK TDGSLGISVT GGVNTSVRHG GIYVKAIIPK GAAESDGRIH KGDRVLAVNG VSLEGATHKQ AVETLRNTGQ VVHLLLEKGQ VP

Formula weight

10837.16 Da

Source organism

Mus musculus

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING, RESTRAINED MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts, heteronucl_T1_relaxation, heteronucl_T2_relaxation, heteronucl_NOEs

Chem. Shift Complete

Sequence coverage: 84.2 %, Completeness: 72.9 %, Completeness (bb): 70.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	72.9 % (914 of 1253)	80.9 % (520 of 643)	61.9 % (305 of 493)	76.1 % (89 of 117)
Backbone	70.5 % (478 of 678)	84.2 % (202 of 240)	57.2 % (187 of 327)	80.2 % (89 of 111)
Sidechain	76.7 % (517 of 674)	78.9 % (318 of 403)	75.1 % (199 of 265)	0.0 % (0 of 6)
Aromatic	40.0 % (28 of 70)	51.4 % (18 of 35)	28.6 % (10 of 35)
Methyl	88.0 % (125 of 142)	88.7 % (63 of 71)	87.3 % (62 of 71)

1. Second PDZ domain from PTP-BL

MHHHHHHMKP GDTFEVELAK TDGSLGISVT GGVNTSVRHG GIYVKAIIPK GAAESDGRIH KGDRVLAVNG VSLEGATHKQ AVETLRNTGQ VVHLLLEKGQ VP

2. C-terminus from APC

KRHSGSYLVT SV

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Second PDZ domain from PTP-BL	[U-2H; U-13C; U-15N]		1.0 mM
2	C-terminus from APC	[U-2H]		3 mM

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LACS Plot; CA

Referencing offset: -0.06 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.06 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: -0.08 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 35 models in PDB: 1GM1, Strand ID: A Detail

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Heteronucl. T₁

78 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2) Detail

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Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2)

Heteronucl. T₂

78 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2) Detail

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Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2)

Heteronucl. NOE

81 NOE values in 1 lists
Value type na, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2) Detail

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Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2)

Heteronucl. T₁/T₂

78 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2) Detail

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Pressure 1 atm, Temperature 298 (±1) K, pH 6.8 (±0.2)

Release date

2011-08-10

Citation

A closed binding pocket and global destabilization modify the binding properties of an alternatively spliced form of the second PDZ domain of PTP-BL
Walma, T., Aelen, J., Nabuurs, S.B., Oostendorp, M., van den Berk, L., Hendriks, W., Vuister, G.W.
Structure (2004), 12, 11-20, PubMed 14725761 , DOI: , Abstract

Related entities 1. Second PDZ domain from PTP-BL, : 2 : 334 entities Detail

Related entities 2. C-terminus from APC, : 1 : 2 : 3 entities Detail

Interaction partners 1. Second PDZ domain from PTP-BL, : 9 interactors Detail

Interaction partners 2. C-terminus from APC, : 2 : 1 interactors Detail

Experiments performed 5 experiments Detail