BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	70.9 % (711 of 1003)	76.4 % (399 of 522)	60.2 % (234 of 389)	84.8 % (78 of 92)
Backbone	75.9 % (390 of 514)	87.6 % (156 of 178)	62.5 % (157 of 251)	90.6 % (77 of 85)
Sidechain	69.2 % (393 of 568)	70.6 % (243 of 344)	68.7 % (149 of 217)	14.3 % (1 of 7)
Aromatic	14.8 % (8 of 54)	18.5 % (5 of 27)	11.1 % (3 of 27)
Methyl	75.0 % (75 of 100)	90.0 % (45 of 50)	60.0 % (30 of 50)

1. entity 1

MGHHHHHHML LKVKTVSNKV IQITSLTDDN TIAELKGKLE ESEGIPGNMI RLVYQGKQLE DEKRLKDYQM SAGATFHMVV ALRAGC

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.7, Details 20 mM NaH2PO4 Sodium dihydrogen phosphate, 150 nM NaCl sodium chloride, 25 uM Arg arginine, 25 uM Glu glutamine, 2 mM DTT Dithiothreitol, 2 uM EDTA Ethylene Diamine Tetraacetic Acid, 100% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1		protein	0.0 ~ 0.0 mM
2	Dithiothreitol	natural abundance		2 mM
3	Ethylene Diamine Tetraacetic Acid	natural abundance		2 uM
4	Sodium dihydrogen phosphate	natural abundance	buffer	20 mM
5	arginine	natural abundance	arginine	25 uM
6	glutamine	natural abundance	glutamine	25 uM
7	sodium chloride	natural abundance	salt	150 uM
8	D2O	[U-2H]	solvent	100 %

LACS Plot; CA

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5GO0, Strand ID: A Detail

Release date

2016-09-19

Citation

Solution structure of nedd8 from Trypanosoma brucei
Wang, R., Liao, S., Zhang, J., Tu, X.

Related entities 1. Ubiquitin, putative, : 1 : 1 : 656 entities Detail

Experiments performed 5 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.7, Details 20 mM NaH2PO4 Sodium dihydrogen phosphate, 150 nM NaCl sodium chloride, 25 uM Arg arginine, 25 uM Glu glutamine, 2 mM DTT Dithiothreitol, 2 uM EDTA Ethylene Diamine Tetraacetic Acid, 100% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1		protein	0.0 ~ 0.0 mM
2	Dithiothreitol	natural abundance		2 mM
3	Ethylene Diamine Tetraacetic Acid	natural abundance		2 uM
4	Sodium dihydrogen phosphate	natural abundance	buffer	20 mM
5	arginine	natural abundance	arginine	25 uM
6	glutamine	natural abundance	glutamine	25 uM
7	sodium chloride	natural abundance	salt	150 uM
8	D2O	[U-2H]	solvent	100 %

2 3D CBCA(CO)NH

Instrument

Bruker DMX - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	entity_1		protein	0.0 ~ 0.0 mM
2	Dithiothreitol	natural abundance		2 mM
3	Ethylene Diamine Tetraacetic Acid	natural abundance		2 uM
4	Sodium dihydrogen phosphate	natural abundance	buffer	20 mM
5	arginine	natural abundance	arginine	25 uM
6	glutamine	natural abundance	glutamine	25 uM
7	sodium chloride	natural abundance	salt	150 uM
8	D2O	[U-2H]	solvent	100 %

3 3D HBHA(CO)NH

Instrument

Bruker DMX - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	entity_1		protein	0.0 ~ 0.0 mM
2	Dithiothreitol	natural abundance		2 mM
3	Ethylene Diamine Tetraacetic Acid	natural abundance		2 uM
4	Sodium dihydrogen phosphate	natural abundance	buffer	20 mM
5	arginine	natural abundance	arginine	25 uM
6	glutamine	natural abundance	glutamine	25 uM
7	sodium chloride	natural abundance	salt	150 uM
8	D2O	[U-2H]	solvent	100 %

4 3D 1H-15N NOESY

Instrument

Bruker DMX - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	entity_1		protein	0.0 ~ 0.0 mM
2	Dithiothreitol	natural abundance		2 mM
3	Ethylene Diamine Tetraacetic Acid	natural abundance		2 uM
4	Sodium dihydrogen phosphate	natural abundance	buffer	20 mM
5	arginine	natural abundance	arginine	25 uM
6	glutamine	natural abundance	glutamine	25 uM
7	sodium chloride	natural abundance	salt	150 uM
8	D2O	[U-2H]	solvent	100 %

5 3D H(CCO)NH

Instrument

Bruker DMX - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	entity_1		protein	0.0 ~ 0.0 mM
2	Dithiothreitol	natural abundance		2 mM
3	Ethylene Diamine Tetraacetic Acid	natural abundance		2 uM
4	Sodium dihydrogen phosphate	natural abundance	buffer	20 mM
5	arginine	natural abundance	arginine	25 uM
6	glutamine	natural abundance	glutamine	25 uM
7	sodium chloride	natural abundance	salt	150 uM
8	D2O	[U-2H]	solvent	100 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_36012_5go0.nef
Input source #2: Coordindates	5go0.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--------
MGHHHHHHMLLKVKTVSNKVIQITSLTDDNTIAELKGKLEESEGIPGNMIRLVYQGKQLEDEKRLKDYQMSAGATFHMVVALRAGC
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHMLLKVKTVSNKVIQITSLTDDNTIAELKGKLEESEGIPGNMIRLVYQGKQLEDEKRLKDYQMSAGATFHMVVALRAGC
--------10--------20--------30--------40--------50--------60--------70--------80------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	86	0	0	100.0

Content subtype: combined_36012_5go0.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	690		90.7 (chain: A, length: 86)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	898 (1)	noe	90.7 (chain: A, length: 86)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	135 (135)	.	89.5 (chain: A, length: 86)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 86, Sequence coverage: 90.7%
- Total number of assignments
  - ¹H chemical shifts: 390
  - ¹³C chemical shifts: 223
  - ¹⁵N chemical shifts: 77
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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	522	388	74.3
¹³C chemical shifts	389	223	57.3
¹⁵N chemical shifts	95	77	81.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	178	157	88.2
¹³C chemical shifts	172	77	44.8
¹⁵N chemical shifts	85	77	90.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	344	231	67.2
¹³C chemical shifts	217	146	67.3
¹⁵N chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	55	46	83.6
¹³C chemical shifts	55	30	54.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	0	0.0
¹³C chemical shifts	27	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 86, Sequence coverage: 90.7%
- Total number of restraints: 898
- Weight of restraints: 1.0 (898)
- Potential type of restraints: square-well-parabolic (898)
- Range of distance target values: 2.4, 4.15 (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_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 86, Sequence coverage: 89.5%
- Total number of restraints: 135
- Total number of restraints per polymer type: 135
- Weight of restraints: 1.0 (135)
- Potential type of restraints: square-well-parabolic (135)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords ubiquitin-like fold

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Found 1 Document (0.726 seconds)

BMRB: 36012

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Ubiquitin, putative, : 1 : 1 : 656 entities Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail