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Found 1 Document (0.784 seconds)

BMRB: 16998

2KZ5

Solution NMR Structure of Transcription factor NF-E2 subunit's DNA binding domain from Homo sapiens, Northeast Structural Genomics Consortium

Authors

Liu, G., Janjua, H., Xiao, R., Ciccosanti, C., Shastry, R., Acton, T.B., Everett, J.K., Montelione, G.T.

Assembly

HR4653B

Entity

1. HR4653B (polymer, Thiol state: not present), 91 monomers, 10541.99 Da Detail

MGHHHHHHSH MAKPTARGEA GSRDERRALA MKIPFPTDKI VNLPVDDFNE LLARYPLTES QLALVRDIRR RGKNKVAAQN YRKRKLETIV Q

Formula weight

10541.99 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.2 %, Completeness: 81.3 %, Completeness (bb): 76.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.3 % (883 of 1086)	87.0 % (500 of 575)	72.0 % (301 of 418)	88.2 % (82 of 93)
Backbone	76.7 % (411 of 536)	89.0 % (161 of 181)	64.7 % (174 of 269)	88.4 % (76 of 86)
Sidechain	86.5 % (551 of 637)	86.0 % (339 of 394)	87.3 % (206 of 236)	85.7 % (6 of 7)
Aromatic	56.3 % (36 of 64)	56.3 % (18 of 32)	56.3 % (18 of 32)
Methyl	100.0 % (94 of 94)	100.0 % (47 of 47)	100.0 % (47 of 47)

1. HR4653B

MGHHHHHHSH MAKPTARGEA GSRDERRALA MKIPFPTDKI VNLPVDDFNE LLARYPLTES QLALVRDIRR RGKNKVAAQN YRKRKLETIV Q

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.1 mM [U-10% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	HR4653B	[U-10% 13C; U-100% 15N]	1.1 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

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: 0.1 ppm, Outliers: 2 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: 0.1 ppm, Outliers: 2 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: 0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KZ5, Strand ID: A Detail

Release date

2010-07-08

Related entities 1. HR4653B, : 1 : 3 : 19 entities Detail

Interaction partners 1. HR4653B, : 4 interactors Detail

More details for 4 interactors identified by 3 citations

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

2 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.1 mM [U-10% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	HR4653B	[U-10% 13C; U-100% 15N]	1.1 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

3 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

5 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

6 3D 1H-13C arom NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

7 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

8 3D C(CO)NH TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

9 2D 1H-15N HSQC 22

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

10 2D 1H-15N HSQC T1

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

11 2D 1H-15N HSQC T2

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

12 2D 1H-15N HSQC 1

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.1 mM [U-10% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	HR4653B	[U-10% 13C; U-100% 15N]	1.1 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

13 2D 1H-15N HSQC 2

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.1 mM [U-10% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	HR4653B	[U-10% 13C; U-100% 15N]	1.1 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

14 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.1 mM [U-10% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	HR4653B	[U-10% 13C; U-100% 15N]	1.1 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

15 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

16 3D HCCH-COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

17 HN NOE0

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

18 HN NOE3

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM [U-100% 13C; U-100% 15N] HR4653B, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4653B	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16998_2kz5.nef
Input source #2: Coordindates	2kz5.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-
MGHHHHHHSHMAKPTARGEAGSRDERRALAMKIPFPTDKIVNLPVDDFNELLARYPLTESQLALVRDIRRRGKNKVAAQNYRKRKLETIVQ
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHSHMAKPTARGEAGSRDERRALAMKIPFPTDKIVNLPVDDFNELLARYPLTESQLALVRDIRRRGKNKVAAQNYRKRKLETIVQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	91	0	0	100.0

Content subtype: combined_16998_2kz5.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	860		89.0 (chain: A, length: 91)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	2475 (1)	noe	89.0 (chain: A, length: 91)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	78 (78)	.	51.6 (chain: A, length: 91)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 91, Sequence coverage: 89.0%
- Total number of assignments
  - ¹H chemical shifts: 492
  - ¹³C chemical shifts: 286
  - ¹⁵N chemical shifts: 82
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	575	492	85.6
¹³C chemical shifts	418	286	68.4
¹⁵N chemical shifts	104	82	78.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	181	159	87.8
¹³C chemical shifts	182	81	44.5
¹⁵N chemical shifts	86	75	87.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	394	333	84.5
¹³C chemical shifts	236	205	86.9
¹⁵N chemical shifts	18	7	38.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	48	96.0
¹³C chemical shifts	50	48	96.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	32	18	56.2
¹³C chemical shifts	32	18	56.2

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 91, Sequence coverage: 89.0%
- Total number of restraints: 2475
- Weight of restraints: 1.0 (2475)
- Potential type of restraints: square-well-parabolic (2475)
- Range of distance target values: 2.25, 4.64 (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

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 91, Sequence coverage: 51.6%
- Total number of restraints: 78
- Total number of restraints per polymer type: 78
- Weight of restraints: 1.0 (78)
- Potential type of restraints: square-well-parabolic (78)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Protein NMR, Protein Structure Initiative, PSI-2, Structural Genomics, Target HR4653B

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Found 1 Document (0.784 seconds)

BMRB: 16998

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HR4653B, : 1 : 3 : 19 entities Detail

Interaction partners 1. HR4653B, : 4 interactors Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 4 contents Detail