BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	94.6 % (1168 of 1235)	93.3 % (599 of 642)	95.2 % (455 of 478)	99.1 % (114 of 115)
Backbone	97.3 % (619 of 636)	98.6 % (213 of 216)	95.9 % (303 of 316)	99.0 % (103 of 104)
Sidechain	91.7 % (643 of 701)	90.6 % (386 of 426)	93.2 % (246 of 264)	100.0 % (11 of 11)
Aromatic	80.0 % (80 of 100)	80.0 % (40 of 50)	79.6 % (39 of 49)	100.0 % (1 of 1)
Methyl	100.0 % (112 of 112)	100.0 % (56 of 56)	100.0 % (56 of 56)

1. AraC-DBD

MDNRVREACQ YISDHLADSN FDIASVAQHV CLSPSRLSHL FRQQLGISVL SWREDQRISQ AKLLLSTTRM PIATVGRNVG FDDQLYFSRV FKKCTGASPS EFRAGCE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
1	AraC-DBD	[U-100% 15N]	0.5 ~ 1.0 mM
2	PHOSPHATE BUFFER	natural abundance	50 mM
3	NACL	natural abundance	400 mM
4	NAN3	natural abundance	0.1 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.32 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K9S, Strand ID: A Detail

Release date

2008-11-06

Citation

Solution structure of the DNA binding domain of AraC protein
Rodgers, M.E., Schleif, R.
Proteins (2009), 77, 202-208, PubMed 19422057 , DOI 10.1002/prot.22431 , Abstract

Related entities 1. AraC-DBD, : 1 : 2 : 2 : 101 entities Detail

Experiments performed 13 experiments Detail

1 3D_13C-SEPARATED_ALI_NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

2 3D_13C-SEPARATED_ARO_NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

3 3D 1H-15N-SEPARATED NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
1	AraC-DBD	[U-100% 15N]	0.5 ~ 1.0 mM
2	PHOSPHATE BUFFER	natural abundance	50 mM
3	NACL	natural abundance	400 mM
4	NAN3	natural abundance	0.1 mM

4 2D 1H-15N HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
1	AraC-DBD	[U-100% 15N]	0.5 ~ 1.0 mM
2	PHOSPHATE BUFFER	natural abundance	50 mM
3	NACL	natural abundance	400 mM
4	NAN3	natural abundance	0.1 mM

5 2D 1H-13C HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

6 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

7 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

8 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

9 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

10 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

11 3D HCCH-COSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

12 3D HCCCONH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

13 3D H_CCCONH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.6MM ARAC DBD, U-15N, 50MM PHOSPHATE BUFFER NA; 400MM NACL; 0.1MM NAN3

#	Name	Isotope labeling	Concentration
5	AraC-DBD	[U-100% 13C; U-100% 15N]	0.5-1.0 mM
6	PHOSPHATE BUFFER	natural abundance	50 mM
7	NACL	natural abundance	400 mM
8	NAN3	natural abundance	0.1 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16001_2k9s.nef
Input source #2: Coordindates	2k9s.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
MDNRVREACQYISDHLADSNFDIASVAQHVCLSPSRLSHLFRQQLGISVLSWREDQRISQAKLLLSTTRMPIATVGRNVGFDDQLYFSRVFKKCTGASPS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MDNRVREACQYISDHLADSNFDIASVAQHVCLSPSRLSHLFRQQLGISVLSWREDQRISQAKLLLSTTRMPIATVGRNVGFDDQLYFSRVFKKCTGASPS

-------
EFRAGCE
|||||||
EFRAGCE

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	107	0	0	100.0

Content subtype: combined_16001_2k9s.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1178		100.0 (chain: A, length: 107)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	2188 (1)	noe	100.0 (chain: A, length: 107)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	207 (207)	.	100.0 (chain: A, length: 107)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 107, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 599
  - ¹³C chemical shifts: 465
  - ¹⁵N chemical shifts: 114
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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)
3	ASN	CG	176.313
10	GLN	CD	180.391
20	ASN	CG	177.633
28	GLN	CD	180.155
43	GLN	CD	180.108
44	GLN	CD	178.731
56	GLN	CD	179.334
60	GLN	CD	178.737
78	ASN	CG	176.43
84	GLN	CD	178.996

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	642	599	93.3
¹³C chemical shifts	478	455	95.2
¹⁵N chemical shifts	125	114	91.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	216	214	99.1
¹³C chemical shifts	214	209	97.7
¹⁵N chemical shifts	104	103	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	426	385	90.4
¹³C chemical shifts	264	246	93.2
¹⁵N chemical shifts	21	11	52.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	58	100.0
¹³C chemical shifts	58	58	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	40	80.0
¹³C chemical shifts	49	39	79.6
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 107, Sequence coverage: 100.0%
- Total number of restraints: 2188
- Weight of restraints: 1.0 (2188)
- Potential type of restraints: upper-bound-parabolic (2188)
- Range of distance target values: 2.66, 5.5 (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: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 107, Sequence coverage: 100.0%
- Total number of restraints: 207
- Total number of restraints per polymer type: 207
- Weight of restraints: 1.0 (207)
- Potential type of restraints: square-well-parabolic (207)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords AraC family, DNA binding, Gene regulation, Transcription regulator

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Found 1 Document (0.754 seconds)

BMRB: 16001

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. AraC-DBD, : 1 : 2 : 2 : 101 entities Detail

Experiments performed 13 experiments Detail

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NMR combined restraints 4 contents Detail