BMRB: 6321

Chemical Shift assignment of the Ground-State of Delta25-PYP

Authors

Bernard, C., Houben, K., Derix, N., van der Horst, M., Hellingwerf, K., Boelens, R., Kaptein, R., van Nuland, N.

Assembly

delta25-PYP

Entity

1. delta25-PYP (polymer, Thiol state: all free), 100 monomers, 11168.55 Da Detail

LAFGAIQLDG DGNILQYNAA EGDITGRDPK QVIGKNFFKD VAPCTDSPEF YGKFKEGVAS GNLNTMFEYT FDYQMTPTKV KVHMKKALSG DSYWVFVKRV

Formula weight

11168.55 Da

Source organism

Halorhodospira halophila

Exptl. method

NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 67.4 %, Completeness (bb): 85.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	67.4 % (795 of 1179)	75.6 % (462 of 611)	49.1 % (227 of 462)	100.0 % (106 of 106)
Backbone	85.5 % (506 of 592)	99.0 % (204 of 206)	71.0 % (206 of 290)	100.0 % (96 of 96)
Sidechain	55.4 % (375 of 677)	63.7 % (258 of 405)	40.8 % (107 of 262)	100.0 % (10 of 10)
Aromatic	13.2 % (18 of 136)	17.6 % (12 of 68)	7.5 % (5 of 67)	100.0 % (1 of 1)
Methyl	53.2 % (50 of 94)	74.5 % (35 of 47)	31.9 % (15 of 47)

1. Delta25-PYP ground State

LAFGAIQLDG DGNILQYNAA EGDITGRDPK QVIGKNFFKD VAPCTDSPEF YGKFKEGVAS GNLNTMFEYT FDYQMTPTKV KVHMKKALSG DSYWVFVKRV

Show sample condition

Sample #1

Temperature 293 (±0) K, pH 7 (±0)

#	Name	Isotope labeling	Type	Concentration
1	Delta25-PYP ground State	[U-13C; U-15N]		1 mM
2	phosphate buffer			50 mM

Sample #2

Temperature 293 (±0) K, pH 7 (±0)

#	Name	Isotope labeling	Type	Concentration
3	Delta25-PYP ground State	[U-15N]		1 mM
4	phosphate buffer			50 mM

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LACS Plot; CA

Referencing offset: -0.51 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	external	direct	1.0

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: -0.51 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	external	direct	1.0

Hide chemical shift referencing parameters

LACS Plot; HA

Referencing offset: -0.07 ppm, Outliers: 3 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	external	direct	1.0

Hide chemical shift referencing parameters

Protein Blocks Logo

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

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Release date

2005-07-24

Citation

The solution structure of a transient photoreceptor intermediate: Delta25 photoactive yellow protein
Bernard, C., Houben, K., Derix, N., Marks, D., van der Horst, M., Hellingwerf, K., Boelens, R., Kaptein, R., van Nuland, N.
Structure (2005), 13, 953-962, PubMed 16004868 , DOI 10.1016/j.str.2005.04.017 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. delta25-PYP, : 1 : 45 : 17 : 34 : 12 entities Detail

Experiments performed 2 experiments Detail