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BMRB: 26577

6BHO

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Light-adapted Cyanobacteriochrome NpR6012g4

Authors

Lim, S., Rockwell, N.C., Martin, S.S., Lagarias, J., Ames, J.B.

Assembly

Cyanobacteriochrome GAF6012g4

Entity

1. Cyanobacteriochrome NpR6012g4 (polymer, Thiol state: free and other bound), 180 monomers, 20381.61 Da Detail

MGEKAVTKIS NRIRQSSDVE EIFKTTTQEV RQLLRCDRVA VYRFNPNWTG EFVAESVAHT WVKLVGPDIK TVWEDTHLQE TQGGRYAQGE NFVVNDIYQV GHSPCHIEIL EQFEVKAYVI VPVFAGEQLW GLLAAYQNSG TRDWDESEVT LLARIGNQLG LALQQTEYLQ QVQGQSAKPG

2. Cyanobacteriochrome GAF6012g4, entity CYC (non-polymer), 588.694 Da

Total weight

20970.303 Da

Max. entity weight

20381.61 Da

Entity Connection

thioether 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	thioether	sing	1:CYS105:SG	2:CYC1:CAC

Source organism

Nostoc punctiforme

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 78.5 %, Completeness (bb): 92.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.5 % (1659 of 2113)	77.9 % (851 of 1093)	78.3 % (639 of 816)	82.8 % (169 of 204)
Backbone	92.2 % (987 of 1070)	90.8 % (335 of 369)	93.0 % (489 of 526)	93.1 % (163 of 175)
Sidechain	68.2 % (825 of 1209)	71.3 % (516 of 724)	66.4 % (303 of 456)	20.7 % (6 of 29)
Aromatic	41.8 % (77 of 184)	76.1 % (70 of 92)	2.3 % (2 of 87)	100.0 % (5 of 5)
Methyl	90.7 % (196 of 216)	91.7 % (99 of 108)	89.8 % (97 of 108)

1. Cyanobacteriochrome NpR6012g4

MGEKAVTKIS NRIRQSSDVE EIFKTTTQEV RQLLRCDRVA VYRFNPNWTG EFVAESVAHT WVKLVGPDIK TVWEDTHLQE TQGGRYAQGE NFVVNDIYQV GHSPCHIEIL EQFEVKAYVI VPVFAGEQLW GLLAAYQNSG TRDWDESEVT LLARIGNQLG LALQQTEYLQ QVQGQSAKPG

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 301 K, pH 7.4, Details 15N labeled sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	10 mM
2	Cyanobacteriochrome NpR6012g4	[U-99% 15N]	0.4 mM
3	D2O	[U-99% 2H]	7 % v/v
4	H2O	natural abundance	93 % v/v

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 301 K, pH 7.4, Details 15N and 13C labeled sample

#	Name	Isotope labeling	Concentration
5	sodium phosphate	natural abundance	10 mM
6	Cyanobacteriochrome NpR6012g4	[U-99% 13C; U-99% 15N]	0.4 mM
7	D2O	[U-99% 2H]	7 % v/v
8	H2O	natural abundance	93 % v/v

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	41.706 ppm	na	indirect	0.2514495
¹H	water	protons	4.744 ppm	internal	direct	1.0
¹⁵N	water	protons	118.05 ppm	na	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 5 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	41.706 ppm	na	indirect	0.2514495
¹H	water	protons	4.744 ppm	internal	direct	1.0
¹⁵N	water	protons	118.05 ppm	na	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 5 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	41.706 ppm	na	indirect	0.2514495
¹H	water	protons	4.744 ppm	internal	direct	1.0
¹⁵N	water	protons	118.05 ppm	na	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	41.706 ppm	na	indirect	0.2514495
¹H	water	protons	4.744 ppm	internal	direct	1.0
¹⁵N	water	protons	118.05 ppm	na	indirect	0.1013291

Referencing offset: 0.14 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 6BHO, Strand ID: A Detail

Release date

2015-12-17

Citation

¹H, ¹³C, and ¹⁵N chemical shift assignments of cyanobacteriochrome NpR6012g4 in the green-absorbing photoproduct state
Lim, S., Rockwell, N.C., Martin, S.S., Lagarias, J., Ames, J.B.
Biomol. NMR Assign. (2015), 10, 157-161, PubMed 26537963 , DOI 10.1007/s12104-015-9657-4 , Abstract