BMRB: 11042

Assigned chemical shifts of RelE

Authors

Suzuki, S., Kawazoe, M., Kaminishi, T., Takemoto, C., Muto, Y., Shirouzu, M., Yokoyama, S.

Assembly

RelE

Entity

1. RelE (polymer, Thiol state: all free), 89 monomers, 10723.25 Da Detail

MGYRIEFDPR AEKELEKLDR EVARRILRFL RERVATLEDP RSLGEPLRGP ELGRFWKYRV GDYRLICHIQ DREATVLVLR VGHARDVYR

Formula weight

10723.25 Da

Source organism

Thermus thermophilus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 95.7 %, Completeness (bb): 97.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	95.7 % (1046 of 1093)	94.7 % (549 of 580)	97.2 % (414 of 426)	95.4 % (83 of 87)
Backbone	97.0 % (510 of 526)	96.7 % (174 of 180)	97.7 % (255 of 261)	95.3 % (81 of 85)
Sidechain	94.9 % (617 of 650)	93.8 % (375 of 400)	96.8 % (240 of 248)	100.0 % (2 of 2)
Aromatic	91.5 % (75 of 82)	92.7 % (38 of 41)	90.0 % (36 of 40)	100.0 % (1 of 1)
Methyl	100.0 % (102 of 102)	100.0 % (51 of 51)	100.0 % (51 of 51)

1. RelE

MGYRIEFDPR AEKELEKLDR EVARRILRFL RERVATLEDP RSLGEPLRGP ELGRFWKYRV GDYRLICHIQ DREATVLVLR VGHARDVYR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	RelE	[U-100% 13C; U-100% 15N]		0.4 mM
2	d-Tris-HCl	[U-2H]		20 mM
3	sodium chloride	natural abundance		100 mM
4	d-DTT	[U-2H]		5 mM
5	H2O			90 %
6	D2O			10 %

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LACS Plot; CA

Referencing offset: 0.0 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	na	na	0.0 ppm	null	direct	0.0
1H	na	na	0.0 ppm	null	direct	0.0
15N	na	na	0.0 ppm	null	direct	0.0

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LACS Plot; CB

Referencing offset: 0.0 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	na	na	0.0 ppm	null	direct	0.0
1H	na	na	0.0 ppm	null	direct	0.0
15N	na	na	0.0 ppm	null	direct	0.0

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LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	na	na	0.0 ppm	null	direct	0.0
1H	na	na	0.0 ppm	null	direct	0.0
15N	na	na	0.0 ppm	null	direct	0.0

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LACS Plot; CO

Referencing offset: 0.03 ppm, Outliers: 5 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	na	na	0.0 ppm	null	direct	0.0
1H	na	na	0.0 ppm	null	direct	0.0
15N	na	na	0.0 ppm	null	direct	0.0

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Protein Blocks Logo

Calculated from 20 models in PDB: 2KHE, Strand ID: A Detail

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Release date

2010-03-10

Citation

No title is available
Suzuki, S., Kawazoe, M., Kaminishi, T., Takemoto, C., Muto, Y., Shirouzu, M., Yokoyama, S.

Related entities 1. RelE, : 1 : 20 entities Detail

Experiments performed 2 experiments Detail