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BMRB: 17971

2LK2

Solution NMR structure of homeobox domain (171-248) of human homeobox protein TGIF1, Northeast Structural Genomics Consortium Target HR4411B

Authors

Yang, Y., Ramelot, T.A., Cort, J.R., Shastry, R., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.

Assembly

TGIF1

Entity

1. TGIF1 (polymer, Thiol state: all free), 89 monomers, 10665.98 Da Detail

MGHHHHHHSH MLPKESVQIL RDWLYEHRYN AYPSEQEKAL LSQQTHLSTL QVCNWFINAR RRLLPDMLRK DGKDPNQFTI SRRGAKISE

Formula weight

10665.98 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 90.9 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.9 % (994 of 1094)	90.8 % (525 of 578)	89.7 % (376 of 419)	95.9 % (93 of 97)
Backbone	94.7 % (498 of 526)	94.4 % (167 of 177)	94.7 % (250 of 264)	95.3 % (81 of 85)
Sidechain	88.5 % (579 of 654)	89.3 % (358 of 401)	86.7 % (209 of 241)	100.0 % (12 of 12)
Aromatic	56.7 % (59 of 104)	59.6 % (31 of 52)	52.0 % (26 of 50)	100.0 % (2 of 2)
Methyl	98.7 % (77 of 78)	97.4 % (38 of 39)	100.0 % (39 of 39)

1. TGIF1

MGHHHHHHSH MLPKESVQIL RDWLYEHRYN AYPSEQEKAL LSQQTHLSTL QVCNWFINAR RRLLPDMLRK DGKDPNQFTI SRRGAKISE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	TGIF1	[U-5% 13C; U-100% 15N]	0.36 (±0.04) mM
10	ammonium acetate	natural abundance	20 (±1.0) mM
11	sodium chloride	natural abundance	100 (±5.0) mM
12	DTT	natural abundance	10 (±0.5) mM
13	sodium azide	natural abundance	0.02 (±0.001) %
14	calcium chloride	natural abundance	5 (±0.25) mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
18	ammonium acetate	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	sodium azide	natural abundance	0.02 (±0.001) %
21	DTT	natural abundance	10 (±0.5) mM
22	calcium chloride	natural abundance	5 (±0.25) mM
23	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.27 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LK2, Strand ID: A Detail

Release date

2011-10-27

Citation

Solution NMR structure of homeobox domain (171-248) of human homeobox protein TGIF1, Northeast Structural Genomics Consortium Target HR4411B
Yang, Y., Ramelot, T.A., Cort, J.R., Shastry, R., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.
Not known

Related entities 1. TGIF1, : 1 : 7 : 40 entities Detail

Interaction partners 1. TGIF1, : 17 interactors Detail

More details for 17 interactors identified by 6 citations

Experiments performed 23 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

3 2D 1H-13C HSQC-aromatic

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

4 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
18	ammonium acetate	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	sodium azide	natural abundance	0.02 (±0.001) %
21	DTT	natural abundance	10 (±0.5) mM
22	calcium chloride	natural abundance	5 (±0.25) mM
23	D2O	natural abundance	100 %

5 2D 1H-13C HSQC

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
18	ammonium acetate	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	sodium azide	natural abundance	0.02 (±0.001) %
21	DTT	natural abundance	10 (±0.5) mM
22	calcium chloride	natural abundance	5 (±0.25) mM
23	D2O	natural abundance	100 %

6 2D 1H-13C HSQC-CT

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	TGIF1	[U-5% 13C; U-100% 15N]	0.36 (±0.04) mM
10	ammonium acetate	natural abundance	20 (±1.0) mM
11	sodium chloride	natural abundance	100 (±5.0) mM
12	DTT	natural abundance	10 (±0.5) mM
13	sodium azide	natural abundance	0.02 (±0.001) %
14	calcium chloride	natural abundance	5 (±0.25) mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

7 3D 1H-15N NOESY

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	TGIF1	[U-5% 13C; U-100% 15N]	0.36 (±0.04) mM
10	ammonium acetate	natural abundance	20 (±1.0) mM
11	sodium chloride	natural abundance	100 (±5.0) mM
12	DTT	natural abundance	10 (±0.5) mM
13	sodium azide	natural abundance	0.02 (±0.001) %
14	calcium chloride	natural abundance	5 (±0.25) mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

8 3D 1H-13C NOESY_aliph

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

9 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

10 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

11 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

12 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

13 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

14 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

15 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

16 3D C(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

17 3D HCCH-COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

18 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

19 3D CC-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
18	ammonium acetate	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	sodium azide	natural abundance	0.02 (±0.001) %
21	DTT	natural abundance	10 (±0.5) mM
22	calcium chloride	natural abundance	5 (±0.25) mM
23	D2O	natural abundance	100 %

20 4D CC-NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
18	ammonium acetate	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	sodium azide	natural abundance	0.02 (±0.001) %
21	DTT	natural abundance	10 (±0.5) mM
22	calcium chloride	natural abundance	5 (±0.25) mM
23	D2O	natural abundance	100 %

21 3D 1H-15N NOESY_NUS

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
2	ammonium acetate	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	10 (±0.5) mM
6	calcium chloride	natural abundance	5 (±0.25) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

22 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
18	ammonium acetate	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	sodium azide	natural abundance	0.02 (±0.001) %
21	DTT	natural abundance	10 (±0.5) mM
22	calcium chloride	natural abundance	5 (±0.25) mM
23	D2O	natural abundance	100 %

23 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	TGIF1	[U-100% 13C; U-100% 15N]	0.41 (±0.04) mM
18	ammonium acetate	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	sodium azide	natural abundance	0.02 (±0.001) %
21	DTT	natural abundance	10 (±0.5) mM
22	calcium chloride	natural abundance	5 (±0.25) mM
23	D2O	natural abundance	100 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17971_2lk2.nef
Input source #2: Coordindates	2lk2.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---------
MGHHHHHHSHMLPKESVQILRDWLYEHRYNAYPSEQEKALLSQQTHLSTLQVCNWFINARRRLLPDMLRKDGKDPNQFTISRRGAKISE
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHSHMLPKESVQILRDWLYEHRYNAYPSEQEKALLSQQTHLSTLQVCNWFINARRRLLPDMLRKDGKDPNQFTISRRGAKISE

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	89	0	0	100.0

Content subtype: combined_17971_2lk2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1004		96.6 (chain: A, length: 89)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1245 (1)	noe	93.3 (chain: A, length: 89)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	72 (1)	hbond	56.2 (chain: A, length: 89)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	92 (92)	.	59.6 (chain: A, length: 89)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 89, Sequence coverage: 96.6%
- Total number of assignments
  - ¹³C chemical shifts: 380
  - ¹H chemical shifts: 526
  - ¹⁵N chemical shifts: 98
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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)
18	GLN	CD	180.2
30	ASN	CG	178.0
36	GLN	CD	180.2
43	GLN	CD	180.2
44	GLN	CD	178.8
45	THR	HG1	4.49
51	GLN	CD	179.6
54	ASN	CG	175.3
58	ASN	CG	175.9
76	ASN	CG	177.0
77	GLN	CD	180.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	419	370	88.3
¹H chemical shifts	578	525	90.8
¹⁵N chemical shifts	105	98	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	178	166	93.3
¹H chemical shifts	177	168	94.9
¹⁵N chemical shifts	85	80	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	241	204	84.6
¹H chemical shifts	401	357	89.0
¹⁵N chemical shifts	20	18	90.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	42	40	95.2
¹H chemical shifts	42	39	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	50	22	44.0
¹H chemical shifts	52	28	53.8
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 89, Sequence coverage: 93.3%
- Total number of restraints: 1245
- Weight of restraints: 1.0 (1245)
- Potential type of restraints: square-well-parabolic (1245)
- Range of distance target values: 2.12, 3.92 (Å)
- Histogram of distance target values
- Histogram of discrepancy in 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: 89, Sequence coverage: 56.2%
  - Total number of restraints: 72
  - Weight of restraints: 1.0 (72)
  - Potential type of restraints: square-well-parabolic (72)
  - Range of distance target values: 2.0, 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: 89, Sequence coverage: 59.6%
- Total number of restraints: 92
- Total number of restraints per polymer type: 92
- Weight of restraints: 1.0 (92)
- Potential type of restraints: square-well-parabolic (92)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords homeobox domain of human homeobox protein TGIF1, Homo sapiens, NESG, NMR structure

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Found 1 Document (0.832 seconds)

BMRB: 17971

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. TGIF1, : 1 : 7 : 40 entities Detail

Interaction partners 1. TGIF1, : 17 interactors Detail

Experiments performed 23 experiments Detail

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