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BMRB: 5305

7EFX

Backbone 1H, 13C, and 15N Chemical Shift Assignments for the peptidyl-prolyl cis-trans isomerase Pin1

Authors

Jacobs, D.M., Saxena, K., Grimme, S., Vogtherr, M., Pescatore, B., Langer, T., Elshorst, B., Fiebig, K.M.

Assembly

Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1

Entity

1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (polymer, Thiol state: all free), 183 monomers, 20406.37 Da Detail

MGSSHHHHHH SSGLVPRGSH MADEEKLPPG WEKRMSRSSG RVYYFNHITN ASQWERPSGN SSSGGKNGQG EPARVRCSHL LVKHSQSRRP SSWRQEKITR TKEEALELIN GYIQKIKSGE EDFESLASQF SDCSSAKARG DLGAFSRGQM QKPFEDASFA LRTGEMSGPV FTDSGIHIIL RTE

Formula weight

20406.37 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.1 %, Completeness: 49.9 %, Completeness (bb): 86.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	49.9 % (1039 of 2081)	35.8 % (392 of 1096)	61.7 % (490 of 794)	82.2 % (157 of 191)
Backbone	86.7 % (938 of 1082)	84.3 % (317 of 376)	88.1 % (468 of 531)	87.4 % (153 of 175)
Sidechain	21.3 % (248 of 1164)	10.4 % (75 of 720)	39.5 % (169 of 428)	25.0 % (4 of 16)
Aromatic	3.4 % (6 of 174)	3.4 % (3 of 87)	0.0 % (0 of 84)	100.0 % (3 of 3)
Methyl	24.2 % (30 of 124)	19.4 % (12 of 62)	29.0 % (18 of 62)

1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting1

Show sample condition

Sample

Temperature 298 (±0.5) K, pH 6.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Peptidyl-prolyl cis-trans isomerase NIMA-interacting1	[U-95% 13C; U-95% 15N]		1.5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 1.5 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 1.5 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 2.1 ppm, Outliers: 2 Detail

Release date

2002-08-21

Citation

1H, 13C and 15N backbone resonance assignment of the peptidyl-prolyl cis-trans isomerase Pin1
Jacobs, D.M., Saxena, K., Grimme, S., Vogtherr, M., Pescatore, B., Langer, T., Elshorst, B., Fiebig, K.M.
J. Biomol. NMR (2002), 23, 163-164, PubMed 12153046 , DOI: , Abstract

Related entities 1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, : 1 : 25 : 51 entities Detail

Interaction partners 1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, : 141 interactors Detail

More details for 141 interactors identified by 38 citations

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5305_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	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr5305_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	929		88.0 (chain: 1, length: 183)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 183, Sequence coverage: 88.0%
- Total number of assignments
  - ¹³C chemical shifts: 462
  - ¹H chemical shifts: 313
  - ¹⁵N chemical shifts: 154
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	794	462	58.2
¹H chemical shifts	1096	313	28.6
¹⁵N chemical shifts	206	154	74.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	366	316	86.3
¹H chemical shifts	376	310	82.4
¹⁵N chemical shifts	175	151	86.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	428	146	34.1
¹H chemical shifts	720	3	0.4
¹⁵N chemical shifts	31	3	9.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	67	10	14.9
¹H chemical shifts	67	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	84	0	0.0
¹H chemical shifts	87	3	3.4
¹⁵N chemical shifts	3	3	100.0

Keywords Pin1, PPIase, peptidyl-prolyl cis-trans isomerase

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Found 1 Document (2.901 seconds)

BMRB: 5305

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, : 1 : 25 : 51 entities Detail

Interaction partners 1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, : 141 interactors Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail