BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	90.9 % (1058 of 1164)	87.7 % (533 of 608)	93.9 % (417 of 444)	96.4 % (108 of 112)
Backbone	97.1 % (594 of 612)	95.3 % (202 of 212)	98.3 % (295 of 300)	97.0 % (97 of 100)
Sidechain	86.2 % (557 of 646)	83.6 % (331 of 396)	90.3 % (215 of 238)	91.7 % (11 of 12)
Aromatic	62.7 % (69 of 110)	63.6 % (35 of 55)	59.6 % (31 of 52)	100.0 % (3 of 3)
Methyl	97.0 % (64 of 66)	97.0 % (32 of 33)	97.0 % (32 of 33)

1. entity 1

GSHMSPDRCQ DWLEALHWYN TALEMTDCDE GGEYDGMQDE PRYMMLAREA EMLFTGGYGL EKDPQRSGDL YTQAAEAAME AMKGRLANQY YQKAEEAWAQ MEE

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 (±0.2) K, pH 6.5, Details 600 uM [U-99% 13C; U-99% 15N] eEF2K_627-725, 50 mM sodium phosphate, 4 mM DTT, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 (±0.2) K, pH 6.5, Details 300 uM [U-99% 13C; U-99% 15N] eEF2K_627-725, 50 mM sodium phosphate, 4 mM DTT, 100% D2O

#	Name	Isotope labeling	Concentration
4	DTT	natural abundance	4 (±0.1) mM
5	eEF2K_627-725	[U-99% 13C; U-99% 15N]	300 (±25.0) uM
6	sodium phosphate	natural abundance	50 (±1.0) mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 (±0.2) K, pH 6.5, Details 300 uM [U-99% 13C; U-99% 1 eEF2K_627-725, 15 mg/mL Pf1 phage (ASLA Ltd), 50 mM sodium phosphate, 4 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	DTT	natural abundance	4 (±0.1) mM
8	Pf1 phage (ASLA Ltd)	natural abundance	15 (±1.0) mg/mL
9	eEF2K_627-725	[U-99% 13C; U-99% 1	300 (±30.0) uM
10	sodium phosphate	natural abundance	50 (±1.0) mM

LACS Plot; CA

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.25 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5KS5, Strand ID: A Detail

Release date

2016-09-08

Citation

Structure of the C-Terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase
Will, N., Piserchio, A., Snyder, I., Ferguson, S.B., Giles, D.H., Dalby, K.N., Ghose, R.
Biochemistry (2016), 55, 5377-5386, PubMed 27571275 , DOI 10.1021/acs.biochem.6b00711 , Abstract

Related entities 1. Eukaryotic elongation factor 2 kinase (E.C.2.7.11.20), : 13 entities Detail

Interaction partners 1. Eukaryotic elongation factor 2 kinase (E.C.2.7.11.20), : 7 interactors Detail

More details for 7 interactors identified by 5 citations

Experiments performed 12 experiments Detail

1 HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 (±0.2) K, pH 6.5, Details 600 uM [U-99% 13C; U-99% 15N] eEF2K_627-725, 50 mM sodium phosphate, 4 mM DTT, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

2 HNCACO

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

3 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

5 H(CC)CONH

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

6 (H)CCCONH

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 (±0.2) K, pH 6.5, Details 300 uM [U-99% 13C; U-99% 15N] eEF2K_627-725, 50 mM sodium phosphate, 4 mM DTT, 100% D2O

#	Name	Isotope labeling	Concentration
4	DTT	natural abundance	4 (±0.1) mM
5	eEF2K_627-725	[U-99% 13C; U-99% 15N]	300 (±25.0) uM
6	sodium phosphate	natural abundance	50 (±1.0) mM

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

9 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	DTT	natural abundance	4 (±0.1) mM
5	eEF2K_627-725	[U-99% 13C; U-99% 15N]	300 (±25.0) uM
6	sodium phosphate	natural abundance	50 (±1.0) mM

10 3D 1H-15N NOESY aromatic

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	DTT	natural abundance	4 (±0.1) mM
2	eEF2K_627-725	[U-99% 13C; U-99% 15N]	600 (±30.0) uM
3	sodium phosphate	natural abundance	50 (±1.0) mM

11 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	DTT	natural abundance	4 (±0.1) mM
5	eEF2K_627-725	[U-99% 13C; U-99% 15N]	300 (±25.0) uM
6	sodium phosphate	natural abundance	50 (±1.0) mM

12 15N IPAP

Instrument

Bruker AvanceIII - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 (±0.2) K, pH 6.5, Details 300 uM [U-99% 13C; U-99% 1 eEF2K_627-725, 15 mg/mL Pf1 phage (ASLA Ltd), 50 mM sodium phosphate, 4 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	DTT	natural abundance	4 (±0.1) mM
8	Pf1 phage (ASLA Ltd)	natural abundance	15 (±1.0) mg/mL
9	eEF2K_627-725	[U-99% 13C; U-99% 1	300 (±30.0) uM
10	sodium phosphate	natural abundance	50 (±1.0) mM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30135_5ks5.nef
Input source #2: Coordindates	5ks5.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

-----630-------640-------650-------660-------670-------680-------690-------700-------710-------720--
GSHMSPDRCQDWLEALHWYNTALEMTDCDEGGEYDGMQDEPRYMMLAREAEMLFTGGYGLEKDPQRSGDLYTQAAEAAMEAMKGRLANQYYQKAEEAWAQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMSPDRCQDWLEALHWYNTALEMTDCDEGGEYDGMQDEPRYMMLAREAEMLFTGGYGLEKDPQRSGDLYTQAAEAAMEAMKGRLANQYYQKAEEAWAQ
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

---
MEE
|||
MEE
---

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	103	0	0	100.0

Content subtype: combined_30135_5ks5.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1056		98.1 (chain: A, length: 103)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	1241 (1)	noe	98.1 (chain: A, length: 103)
2	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	870 (1)	noe	95.1 (chain: A, length: 103)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	554 (554)	.	36.9 (chain: A, length: 103)
2	Dihedral angle restraints	CNS/XPLOR_dihedral_6	OK	118 (118)	.	69.9 (chain: A, length: 103)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 103, Sequence coverage: 98.1%
- Total number of assignments
  - ¹H chemical shifts: 531
  - ¹³C chemical shifts: 416
  - ¹⁵N chemical shifts: 109
- 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)
663	PRO	N	123.675

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	608	531	87.3
¹³C chemical shifts	444	416	93.7
¹⁵N chemical shifts	117	108	92.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	212	204	96.2
¹³C chemical shifts	206	201	97.6
¹⁵N chemical shifts	100	97	97.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	396	327	82.6
¹³C chemical shifts	238	215	90.3
¹⁵N chemical shifts	17	11	64.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	41	97.6
¹³C chemical shifts	42	41	97.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	55	35	63.6
¹³C chemical shifts	52	31	59.6
¹⁵N chemical shifts	3	3	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 103, Sequence coverage: 98.1%
- Total number of restraints: 1241
- Weight of restraints: 1.0 (1241)
- Potential type of restraints: square-well-parabolic (1241)
- Range of distance target values: 1.58, 6.36 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_5
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 103, Sequence coverage: 95.1%
  - Total number of restraints: 869
  - Weight of restraints: 1.0 (869)
  - Potential type of restraints: square-well-parabolic (869)
  - Range of distance target values: 1.68, 5.77 (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: 103, Sequence coverage: 36.9%
- Total number of restraints: 554
- Total number of restraints per polymer type: 554
- Weight of restraints: 1.0 (554)
- Potential type of restraints: square-well-parabolic (554)
- Dihedral angle restraints per residue
- Saveframe: CNS/XPLOR_dihedral_6
  - Status: OK
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 103, Sequence coverage: 69.9%
  - Total number of restraints: 118
  - Total number of restraints per polymer type: 118
  - Weight of restraints: 1.0 (118)
  - Potential type of restraints: square-well-parabolic (118)
  - Plot of Phi-Psi angle restraints
  - Dihedral angle restraints per residue
    - Chain_ID: A

Keywords SEL1, TPR, TRANSFERASE, eEF2K, elongation

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Found 1 Document (1.092 seconds)

BMRB: 30135

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Eukaryotic elongation factor 2 kinase (E.C.2.7.11.20), : 13 entities Detail

Interaction partners 1. Eukaryotic elongation factor 2 kinase (E.C.2.7.11.20), : 7 interactors Detail

Experiments performed 12 experiments Detail

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NMR combined restraints 6 contents Detail