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BMRB: 15167

2JOE

NMR Structure of E. Coli YehR Protein. Northeast Structural Genomics Target ER538.

Authors

Ding, K., Ramelot, T.A., Cort, J.R., Chen, C.X., Jiang, M., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M.C., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A.

Assembly

YehR

Entity

1. YehR (polymer, Thiol state: not present), 139 monomers, 15363.25 Da Detail

MGDKEESKKF SANLNGTEIA ITYVYKGDKV LKQSSETKIQ FASIGATTKE DAAKTLEPLS AKYKNIAGVE EKLTYTDTYA QENVTIDMEK VDFKALQGIS GINVSAEDAK KGITMAQMEL VMKAAGFKEV KLEHHHHHH

Formula weight

15363.25 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 97.1 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.1 % (1560 of 1607)	97.1 % (809 of 833)	96.5 % (604 of 626)	99.3 % (147 of 148)
Backbone	97.4 % (810 of 832)	97.2 % (278 of 286)	97.1 % (396 of 408)	98.6 % (136 of 138)
Sidechain	96.2 % (871 of 905)	96.5 % (528 of 547)	95.7 % (333 of 348)	100.0 % (10 of 10)
Aromatic	80.8 % (84 of 104)	82.7 % (43 of 52)	78.8 % (41 of 52)
Methyl	98.7 % (150 of 152)	98.7 % (75 of 76)	98.7 % (75 of 76)

1. YehR

MGDKEESKKF SANLNGTEIA ITYVYKGDKV LKQSSETKIQ FASIGATTKE DAAKTLEPLS AKYKNIAGVE EKLTYTDTYA QENVTIDMEK VDFKALQGIS GINVSAEDAK KGITMAQMEL VMKAAGFKEV KLEHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
9	protein	[U-5% 13C; U-100% 15N]	1 (±0.2) mM
10	NH4OAc	natural abundance	20 (±1.0) mM
11	NaCl	natural abundance	100 (±5.0) mM
12	DTT	natural abundance	10 (±1.0) mM
13	CaCl2	natural abundance	5 (±1.0) mM
14	NaN3	natural abundance	0.02 (±0.001) %
15	H2O		95 (±0.001) %
16	D2O		5 (±0.001) %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 283 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
17	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
18	NH4OAc	natural abundance	20 (±1.0) mM
19	NaCl	natural abundance	100 (±5.0) mM
20	DTT	natural abundance	10 (±1.0) mM
21	CaCl2	natural abundance	5 (±1.0) mM
22	NaN3	natural abundance	0.02 (±0.001) %
23	D2O		100 (±0.001) %

LACS Plot; CA

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

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.02 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2007-04-10

Citation

NMR Structure of E. Coli YehR Protein
Ding, K., Ramelot, T.A., Cort, J.R., Jiang, M., Xiao, R., Swapna, G.V.T., Montelione, G.T., Kennedy, M.A.

Related entities 1. YehR, : 1 : 2 : 3 entities Detail

Interaction partners 1. YehR, : 6 interactors Detail

More details for 6 interactors identified by 1 citations

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

2 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

3 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

4 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

6 3D HNCACB

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

7 3D HBHA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

8 3D HNHA

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
9	protein	[U-5% 13C; U-100% 15N]	1 (±0.2) mM
10	NH4OAc	natural abundance	20 (±1.0) mM
11	NaCl	natural abundance	100 (±5.0) mM
12	DTT	natural abundance	10 (±1.0) mM
13	CaCl2	natural abundance	5 (±1.0) mM
14	NaN3	natural abundance	0.02 (±0.001) %
15	H2O		95 (±0.001) %
16	D2O		5 (±0.001) %

9 3D C(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

10 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

11 3D HCCH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

12 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
17	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
18	NH4OAc	natural abundance	20 (±1.0) mM
19	NaCl	natural abundance	100 (±5.0) mM
20	DTT	natural abundance	10 (±1.0) mM
21	CaCl2	natural abundance	5 (±1.0) mM
22	NaN3	natural abundance	0.02 (±0.001) %
23	D2O		100 (±0.001) %

13 2D 1H-13C (Arom) HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

14 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

15 2D 1H-15N (NH2) HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

16 3D 1H-15N NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
9	protein	[U-5% 13C; U-100% 15N]	1 (±0.2) mM
10	NH4OAc	natural abundance	20 (±1.0) mM
11	NaCl	natural abundance	100 (±5.0) mM
12	DTT	natural abundance	10 (±1.0) mM
13	CaCl2	natural abundance	5 (±1.0) mM
14	NaN3	natural abundance	0.02 (±0.001) %
15	H2O		95 (±0.001) %
16	D2O		5 (±0.001) %

17 3D 1H-13C (Aliph) NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

18 3D 1H-13C (Arom) NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	NH4OAc	natural abundance	20 (±1.0) mM
3	NaCl	natural abundance	100 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	CaCl2	natural abundance	5 (±1.0) mM
6	NaN3	natural abundance	0.02 (±0.001) %
7	H2O		95 (±0.001) %
8	D2O		5 (±0.001) %

19 3D 1H-13C (Aliph) NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
17	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
18	NH4OAc	natural abundance	20 (±1.0) mM
19	NaCl	natural abundance	100 (±5.0) mM
20	DTT	natural abundance	10 (±1.0) mM
21	CaCl2	natural abundance	5 (±1.0) mM
22	NaN3	natural abundance	0.02 (±0.001) %
23	D2O		100 (±0.001) %

20 4D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
17	protein	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
18	NH4OAc	natural abundance	20 (±1.0) mM
19	NaCl	natural abundance	100 (±5.0) mM
20	DTT	natural abundance	10 (±1.0) mM
21	CaCl2	natural abundance	5 (±1.0) mM
22	NaN3	natural abundance	0.02 (±0.001) %
23	D2O		100 (±0.001) %

21 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
9	protein	[U-5% 13C; U-100% 15N]	1 (±0.2) mM
10	NH4OAc	natural abundance	20 (±1.0) mM
11	NaCl	natural abundance	100 (±5.0) mM
12	DTT	natural abundance	10 (±1.0) mM
13	CaCl2	natural abundance	5 (±1.0) mM
14	NaN3	natural abundance	0.02 (±0.001) %
15	H2O		95 (±0.001) %
16	D2O		5 (±0.001) %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15167_2joe.nef
Input source #2: Coordindates	2joe.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MGDKEESKKFSANLNGTEIAITYVYKGDKVLKQSSETKIQFASIGATTKEDAAKTLEPLSAKYKNIAGVEEKLTYTDTYAQENVTIDMEKVDFKALQGIS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGDKEESKKFSANLNGTEIAITYVYKGDKVLKQSSETKIQFASIGATTKEDAAKTLEPLSAKYKNIAGVEEKLTYTDTYAQENVTIDMEKVDFKALQGIS

-------110-------120-------130---------
GINVSAEDAKKGITMAQMELVMKAAGFKEVKLEHHHHHH
|||||||||||||||||||||||||||||||||||||||
GINVSAEDAKKGITMAQMELVMKAAGFKEVKLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	139	0	0	100.0

Content subtype: combined_15167_2joe.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1572		99.3 (chain: A, length: 139)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1387 (1)	noe	92.1 (chain: A, length: 139)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	72 (1)	hbond	33.1 (chain: A, length: 139)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	161 (161)	.	74.8 (chain: A, length: 139)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 139, Sequence coverage: 99.3%
- Total number of assignments
  - ¹H chemical shifts: 814
  - ¹³C chemical shifts: 611
  - ¹⁵N chemical shifts: 147
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
13	ASN	CG	176.5
15	ASN	CG	178.0
33	GLN	CD	177.9
40	GLN	CD	179.1
65	ASN	CG	178.4
81	GLN	CD	179.1
83	ASN	CG	176.9
97	GLN	CD	180.0
103	ASN	CG	176.9
117	GLN	CD	179.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	833	814	97.7
¹³C chemical shifts	626	601	96.0
¹⁵N chemical shifts	148	147	99.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	286	284	99.3
¹³C chemical shifts	278	268	96.4
¹⁵N chemical shifts	138	137	99.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	547	530	96.9
¹³C chemical shifts	348	333	95.7
¹⁵N chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	81	80	98.8
¹³C chemical shifts	81	80	98.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	40	76.9
¹³C chemical shifts	52	40	76.9

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 139, Sequence coverage: 92.1%
- Total number of restraints: 1381
- Weight of restraints: 1.0 (1381)
- Potential type of restraints: square-well-parabolic (1381)
- Range of distance target values: 2.35, 5.4 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 139, Sequence coverage: 33.1%
  - Total number of restraints: 72
  - Weight of restraints: 1.0 (72)
  - Potential type of restraints: square-well-parabolic (72)
  - Range of distance target values: 2.05, 3.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 139, Sequence coverage: 74.8%
- Total number of restraints: 161
- Total number of restraints per polymer type: 161
- Weight of restraints: 1.0 (161)
- Potential type of restraints: square-well-parabolic (161)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords alpha + beta sandwich, six antiparallel beta strands

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Found 1 Document (0.79 seconds)

BMRB: 15167

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YehR, : 1 : 2 : 3 entities Detail

Interaction partners 1. YehR, : 6 interactors Detail

Experiments performed 21 experiments Detail

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NMR combined restraints 5 contents Detail