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BMRB: 19600

2MGQ

CEH37 Homeodomain

Authors

Moon, S., Lee, W.

Assembly

CEH37 Homeodomain

Entity

1. CEH37 Homeodomain (polymer, Thiol state: not present), 68 monomers, 8494.518 Da Detail

GPRKNRRERT TYSRQQLEIL ETLFNETQYP DVFARERVAD QIRLQESRIQ VWFKNRRAKY RLQEKQKP

Formula weight

8494.518 Da

Source organism

Caenorhabditis elegans

Exptl. method

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 75.0 %, Completeness (bb): 82.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.0 % (664 of 885)	80.4 % (385 of 479)	65.0 % (214 of 329)	84.4 % (65 of 77)
Backbone	82.6 % (332 of 402)	95.5 % (128 of 134)	69.0 % (140 of 203)	98.5 % (64 of 65)
Sidechain	72.4 % (398 of 550)	74.5 % (257 of 345)	72.5 % (140 of 193)	8.3 % (1 of 12)
Aromatic	28.8 % (19 of 66)	42.4 % (14 of 33)	15.6 % (5 of 32)	0.0 % (0 of 1)
Methyl	93.1 % (54 of 58)	96.6 % (28 of 29)	89.7 % (26 of 29)

1. CEH-37 Homeodomain

GPRKNRRERT TYSRQQLEIL ETLFNETQYP DVFARERVAD QIRLQESRIQ VWFKNRRAKY RLQEKQKP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

LACS Plot; CA

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.3 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2014-02-10

Citation

Solution structure of CEH-37 homeodomain of the nematode Caenorhabditis elegans
Moon, S., Lee, Y., Kim, W., Lee, W.
Biochem. Biophys. Res. Commun. (2014), 443, 370-375, PubMed 24361878 , DOI 10.1016/j.bbrc.2013.11.133 , Abstract

Related entities 1. CEH37 Homeodomain, : 1 : 2 : 289 entities Detail

Interaction partners 1. CEH37 Homeodomain, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

2 3D CBCA(CO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

3 3D HNCACB

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

4 3D HNCO

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

5 3D HNCA

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

6 3D HBHA(CO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

7 3D 1H-15N NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

8 3D HCCH-TOCSY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

9 3D 1H-13C NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CEH-37 Homeodomain	[U-99% 13C; U-99% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	[U-100% 2H]		10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints	combined_19600_2mgq.nef
Input source #2: Coordindates	2mgq.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--------
GPRKNRRERTTYSRQQLEILETLFNETQYPDVFARERVADQIRLQESRIQVWFKNRRAKYRLQEKQKP
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GPRKNRRERTTYSRQQLEILETLFNETQYPDVFARERVADQIRLQESRIQVWFKNRRAKYRLQEKQKP

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	68	0	0	100.0

Content subtype: combined_19600_2mgq.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	638		97.1 (chain: A, length: 68)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	Warning	741 (741)	.	97.1 (chain: A, length: 68)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 97.1%
- Total number of assignments
  - ¹H chemical shifts: 375
  - ¹³C chemical shifts: 199
  - ¹⁵N chemical shifts: 64
- 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

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_2
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 97.1%
- Total number of restraints: 741
- Total number of restraints per polymer type: 741
- Weight of restraints: 1.0 (741)
- Potential type of restraints: square-well-parabolic (741)
- Plot of Phi-Psi angle restraints
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords DNA binding protein, Homeodomain, Telomere binding protein