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BMRB: 5474

Backbone resonance assignment of the 298 amino acid catalytic domain of protein tyrosine phosphatase 1B (PTP1B)

Authors

Meier, S., Li, Y., Koehn, J., Vlattas, I., Wareing, J., Jahnke, W., Wennogle, L.P., Grzesiek, S.

Assembly

protein tyrosine phosphatase 1B

Entity

1. protein tyrosine phosphatase 1B (polymer, Thiol state: all free), 298 monomers, 34672.14 Da Detail

MEMEKEFEQI DKSGSWAAIY QDIRHEASDF PCRVAKLPKN KNRNRYRDVS PFDHSRIKLH QEDNDYINAS LIKMEEAQRS YILTQGPLPN TCGHFWEMVW EQKSRGVVML NRVMEKGSLK CAQYWPQKEE KEMIFEDTNL KLTLISEDIK SYYTVRQLEL ENLTTQETRE ILHFHYTTWP DFGVPESPAS FLNFLFKVRE SGSLSPEHGP VVVHCSAGIG RSGTFCLADT CLLLMDKRKD PSSVDIKKVL LEMRKFRMGL IQTADQLRFS YLAVIEGAKF IMGDSSVQDQ WKELSHED

2. DADEXLIP-amide,(X=phenylalanine-p-difluoromethyl phosphonate) (polymer, Thiol state: all free), 8 monomers, 34672 Da Detail

DADEXLIP

Total weight

69344.14 Da

Max. entity weight

34672.14 Da

Entity Connection

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	2:ASP1:na	1:CYS215:SG

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 81.7 %, Completeness: 35.3 %, Completeness (bb): 65.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	35.3 % (1296 of 3671)	17.8 % (342 of 1924)	51.2 % (729 of 1425)	69.9 % (225 of 322)
Backbone	65.7 % (1186 of 1804)	42.1 % (257 of 611)	78.1 % (704 of 901)	77.1 % (225 of 292)
Sidechain	15.2 % (328 of 2158)	6.5 % (85 of 1313)	29.8 % (243 of 815)	0.0 % (0 of 30)
Aromatic	1.9 % (6 of 320)	2.5 % (4 of 160)	1.3 % (2 of 154)	0.0 % (0 of 6)
Methyl	10.1 % (30 of 298)	6.0 % (9 of 149)	14.1 % (21 of 149)

1. protein tyrosine phosphatase 1B

MEMEKEFEQI DKSGSWAAIY QDIRHEASDF PCRVAKLPKN KNRNRYRDVS PFDHSRIKLH QEDNDYINAS LIKMEEAQRS YILTQGPLPN TCGHFWEMVW EQKSRGVVML NRVMEKGSLK CAQYWPQKEE KEMIFEDTNL KLTLISEDIK SYYTVRQLEL ENLTTQETRE ILHFHYTTWP DFGVPESPAS FLNFLFKVRE SGSLSPEHGP VVVHCSAGIG RSGTFCLADT CLLLMDKRKD PSSVDIKKVL LEMRKFRMGL IQTADQLRFS YLAVIEGAKF IMGDSSVQDQ WKELSHED

2. DADEXLIP-amide,(X=phenylalanine-p-difluoromethyl phosphonate)

DADEXLIP

Show sample condition

Sample

Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

Release date

2002-11-04

Citation 1

Backbone resonance assignment of the 298 amino acid catalytic domain of protein tyrosine phosphatase 1B (PTP1B)
Meier, S., Li, Y., Koehn, J., Vlattas, I., Wareing, J., Jahnke, W., Wennogle, L.P., Grzesiek, S.
J. Biomol. NMR (2002), 24, 165-166, PubMed 12495035 , Abstract

Show more 1 citaion

Citation 2

Crystal structure of human protein tyrosine phosphatase 1B
Barford, D., Flint, A.J., Tonks, N.K.
Science (1994), 263, 1397-1404, PubMed 8128219 , DOI: , Abstract

Hide non-primary 1 citaion

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P18031 released on 1990-11-01
Title PTN1_HUMAN Entity Tyrosine-protein phosphatase non-receptor type 1

Related entities 1. protein tyrosine phosphatase 1B, : 1 : 129 entities Detail

Experiments performed 13 experiments Detail

1 HN(CO)CA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

2 HN(CA)CO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

3 HN(CO)CACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

4 HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

5 HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

6 HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

7 HN(CO)CA TROSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

8 HN(CA)CO TROSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

9 HN(CO)CACB TROSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

10 HNCACB TROSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

11 HNCA TROSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

12 HNCO TROSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

13 15N-edited NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	protein tyrosine phosphatase 1B	[U-100% 15N; U-100% 13C]		0.5 mM
2	DADEXLIP			1 mM
3	H2O			30 %
4	D2O			70 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5474_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr5474_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1133		81.9 (chain: 1, length: 298)
1	Chemical shift references	chemical_shift_reference	OK	1		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 298, Sequence coverage: 81.9%
- Total number of assignments
  - ¹³C chemical shifts: 697
  - ¹⁵N chemical shifts: 218
  - ¹H chemical shifts: 218
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords obesity, diabetes, heteronuclear NMR