BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	92.1 % (1134 of 1231)	92.6 % (592 of 639)	91.0 % (434 of 477)	93.9 % (108 of 115)
Backbone	92.9 % (602 of 648)	93.7 % (208 of 222)	92.2 % (295 of 320)	93.4 % (99 of 106)
Sidechain	91.8 % (629 of 685)	92.1 % (384 of 417)	91.1 % (236 of 259)	100.0 % (9 of 9)
Aromatic	62.5 % (40 of 64)	65.6 % (21 of 32)	58.1 % (18 of 31)	100.0 % (1 of 1)
Methyl	97.3 % (109 of 112)	100.0 % (56 of 56)	94.6 % (53 of 56)

1. entity

MGSSHHHHHH SSGLVPRGSH MISLSGLTSS VESDLDMQQA MLTNKDEKVL KALERTRQLD IPDEKTMPVL MKLLEEAGGN WSYIKLDNYT ALVDAIYSVE DENKQSEGS

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 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: 0.09 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: 0.09 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: 0.01 ppm, Outliers: 2 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: -0.04 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2013-11-17

Citation

S4WYILD structure
Rahman, M.A., Kristiansen, P., Aalen, R.B.
Not known

Related entities 1. S4WYILD, : 1 : 2 : 8 entities Detail

Interaction partners 1. S4WYILD, : 3 interactors Detail

More details for 3 interactors identified by 1 citations

Experiments performed 22 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

2 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

3 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

4 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

5 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 393 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

6 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 388 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

7 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 383 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

8 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	95 %
2	D2O	[U-100% 2H]	5 %
3	potassium phosphate	natural abundance	20 mM
4	DSS	natural abundance	0.2 mM
5	DTT	natural abundance	1.0 mM
6	sodium chloride	natural abundance	50 mM
7	S4WYILD	[U-98% 15N]	0.8 mM

9 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

10 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

11 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

12 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

13 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

14 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

15 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

16 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

17 3D H(CCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

18 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

19 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

20 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

21 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

22 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	H2O	natural abundance	95 %
9	D2O	[U-100% 2H]	5 %
10	potassium phosphate	natural abundance	20 mM
11	DSS	natural abundance	0.2 mM
12	DTT	natural abundance	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	S4WYILD	[U-98% 13C; U-98% 15N]	0.8 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18672_2lxe.nef
Input source #2: Coordindates	2lxe.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
MGSSHHHHHHSSGLVPRGSHMISLSGLTSSVESDLDMQQAMLTNKDEKVLKALERTRQLDIPDEKTMPVLMKLLEEAGGNWSYIKLDNYTALVDAIYSVE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGSSHHHHHHSSGLVPRGSHMISLSGLTSSVESDLDMQQAMLTNKDEKVLKALERTRQLDIPDEKTMPVLMKLLEEAGGNWSYIKLDNYTALVDAIYSVE

---------
DENKQSEGS
|||||||||
DENKQSEGS

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	109	0	0	100.0

Content subtype: combined_18672_2lxe.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1101		91.7 (chain: A, length: 109)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	2181 (1)	noe	84.4 (chain: A, length: 109)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	110 (110)	.	59.6 (chain: A, length: 109)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 109, Sequence coverage: 91.7%
- Total number of assignments
  - ¹H chemical shifts: 578
  - ¹³C chemical shifts: 418
  - ¹⁵N chemical shifts: 105
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
89	TYR	HH	9.56

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	639	577	90.3
¹³C chemical shifts	477	418	87.6
¹⁵N chemical shifts	118	105	89.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	222	198	89.2
¹³C chemical shifts	218	189	86.7
¹⁵N chemical shifts	106	94	88.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	417	379	90.9
¹³C chemical shifts	259	229	88.4
¹⁵N chemical shifts	12	11	91.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	61	98.4
¹³C chemical shifts	62	57	91.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	32	18	56.2
¹³C chemical shifts	31	17	54.8
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: 109, Sequence coverage: 84.4%
- Total number of restraints: 2158
- Weight of restraints: 1.0 (2158)
- Potential type of restraints: upper-bound-parabolic (2158)
- Range of distance target values: 2.25, 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: 109, Sequence coverage: 59.6%
- Total number of restraints: 110
- Total number of restraints per polymer type: 110
- Weight of restraints: 1.0 (110)
- Potential type of restraints: square-well-parabolic (110)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords a-helical, Ubiqutine binding domain

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Found 1 Document (0.722 seconds)

BMRB: 18672

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. S4WYILD, : 1 : 2 : 8 entities Detail

Interaction partners 1. S4WYILD, : 3 interactors Detail

Experiments performed 22 experiments Detail

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NMR combined restraints 4 contents Detail