BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	83.3 % (703 of 844)	86.0 % (374 of 435)	77.6 % (257 of 331)	92.3 % (72 of 78)
Backbone	97.9 % (419 of 428)	98.6 % (146 of 148)	97.6 % (205 of 210)	97.1 % (68 of 70)
Sidechain	72.4 % (349 of 482)	79.4 % (228 of 287)	62.6 % (117 of 187)	50.0 % (4 of 8)
Aromatic	24.6 % (28 of 114)	42.1 % (24 of 57)	0.0 % (0 of 53)	100.0 % (4 of 4)
Methyl	92.9 % (65 of 70)	94.3 % (33 of 35)	91.4 % (32 of 35)

1. SH domain

MVSRDQAHLG PKYVGLWDFK SRTDEELSFR AGDVFHVARK EEQWWWATLL DEAGGAVAQG YVPHNYLAER ET

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 15N-labeled

#	Name	Isotope labeling	Concentration
1	SH domain	[U-99% 15N]	0.2 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C/15N-labeled

#	Name	Isotope labeling	Concentration
4	SH domain	[U-99% 13C; U-99% 15N]	0.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

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: -0.57 ppm, Outliers: 2 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: -0.57 ppm, Outliers: 2 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: 0.07 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: 0.64 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2009-10-15

Citation

Structural basis of the auto-inhibition mechanism of nonreceptor tyrosine kinase PTK6
Ko, S., Ahn, K., Lee, Y., Ahn, H., Lee, W.
Biochem. Biophys. Res. Commun. (2009), 384, 236-242, PubMed 19401189 , DOI 10.1016/j.bbrc.2009.04.103 , Abstract

Related entities 1. PTK6-SH3, : 1 : 2 : 146 entities Detail

Interaction partners 1. PTK6-SH3, : 19 interactors Detail

More details for 19 interactors identified by 10 citations

Experiments performed 9 experiments Detail

1 3D HNCACB

Instrument

Bruker DRX - 500 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C/15N-labeled

#	Name	Isotope labeling	Concentration
4	SH domain	[U-99% 13C; U-99% 15N]	0.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 3D HNCA

Instrument

Bruker DRX - 500 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C/15N-labeled

#	Name	Isotope labeling	Concentration
4	SH domain	[U-99% 13C; U-99% 15N]	0.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

3 3D HNCO

Instrument

Bruker DRX - 500 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C/15N-labeled

#	Name	Isotope labeling	Concentration
4	SH domain	[U-99% 13C; U-99% 15N]	0.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 500 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C/15N-labeled

#	Name	Isotope labeling	Concentration
4	SH domain	[U-99% 13C; U-99% 15N]	0.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

5 3D HBHA(CO)NH

Instrument

Bruker DRX - 500 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C/15N-labeled

#	Name	Isotope labeling	Concentration
4	SH domain	[U-99% 13C; U-99% 15N]	0.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

6 3D HCCH-TOCSY

Instrument

Varian INOVA - 900 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C/15N-labeled

#	Name	Isotope labeling	Concentration
4	SH domain	[U-99% 13C; U-99% 15N]	0.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

7 3D 1H-15N NOESY

Instrument

Varian INOVA - 900 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 15N-labeled

#	Name	Isotope labeling	Concentration
1	SH domain	[U-99% 15N]	0.2 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

8 3D 1H-13C NOESY

Instrument

Varian INOVA - 900 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C/15N-labeled

#	Name	Isotope labeling	Concentration
4	SH domain	[U-99% 13C; U-99% 15N]	0.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

9 2D 1H-15N HSQC

Instrument

Varian INOVA - 900 MHz equipped with Cryo-probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 15N-labeled

#	Name	Isotope labeling	Concentration
1	SH domain	[U-99% 15N]	0.2 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints	combined_16219_2kgt.nef
Input source #2: Coordindates	2kgt.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--
MVSRDQAHLGPKYVGLWDFKSRTDEELSFRAGDVFHVARKEEQWWWATLLDEAGGAVAQGYVPHNYLAERET
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MVSRDQAHLGPKYVGLWDFKSRTDEELSFRAGDVFHVARKEEQWWWATLLDEAGGAVAQGYVPHNYLAERET

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	72	0	0	100.0

Content subtype: combined_16219_2kgt.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	702		100.0 (chain: A, length: 72)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	77 (77)	.	83.3 (chain: A, length: 72)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 72, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 374
  - ¹³C chemical shifts: 256
  - ¹⁵N chemical shifts: 72
- 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	435	374	86.0
¹³C chemical shifts	331	256	77.3
¹⁵N chemical shifts	83	72	86.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	148	146	98.6
¹³C chemical shifts	144	140	97.2
¹⁵N chemical shifts	70	68	97.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	287	228	79.4
¹³C chemical shifts	187	116	62.0
¹⁵N chemical shifts	13	4	30.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	36	33	91.7
¹³C chemical shifts	36	31	86.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	57	24	42.1
¹³C chemical shifts	53	0	0.0
¹⁵N chemical shifts	4	4	100.0

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 72, Sequence coverage: 83.3%
- Total number of restraints: 77
- Total number of restraints per polymer type: 77
- Weight of restraints: 1.0 (77)
- Potential type of restraints: square-well-parabolic (77)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.878 seconds)

BMRB: 16219

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. PTK6-SH3, : 1 : 2 : 146 entities Detail

Interaction partners 1. PTK6-SH3, : 19 interactors Detail

Experiments performed 9 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 3 contents Detail