BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	95.1 % (1367 of 1438)	96.8 % (724 of 748)	92.0 % (518 of 563)	98.4 % (125 of 127)
Backbone	94.7 % (667 of 704)	95.8 % (226 of 236)	93.0 % (331 of 356)	98.2 % (110 of 112)
Sidechain	96.0 % (816 of 850)	97.3 % (498 of 512)	93.8 % (303 of 323)	100.0 % (15 of 15)
Aromatic	86.4 % (114 of 132)	98.5 % (65 of 66)	71.7 % (43 of 60)	100.0 % (6 of 6)
Methyl	96.5 % (137 of 142)	95.8 % (68 of 71)	97.2 % (69 of 71)

1. entity

MGITITDELL WAILKDELSD AEANALVWQA LGYVWDEAQS CWKTDLVAPE WRQDYPEPPD FIASRPATVK LTRSIPAPYK QLLKEELGFA GYSINELVPR KTRRATMTNW LLAYRRSQQD

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] YP_399305.1, 50 mM sodium chloride, 20 mM sodium phosphate, 4.5 mM sodium azide

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

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: -0.37 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: -0.37 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: 0.15 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.22 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L1N, Strand ID: A Detail

Release date

2010-08-17

Citation

Solution NMR structure of the protein YP_399305.1
Mohanty, B., Serrano, P., Geralt, M., Horst, R., Wuthrich, K.
Not known

Related entities 1. YP 399305.1, : 1 entities Detail

Experiments performed 8 experiments Detail

1 15N Resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] YP_399305.1, 50 mM sodium chloride, 20 mM sodium phosphate, 4.5 mM sodium azide

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

2 13Cali Resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

3 13Caro Resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

4 4D APSY-HACANH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

5 5D APSY-HACACONH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

6 5D APSY-CBCACONH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

7 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

8 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	YP_399305.1	[U-98% 13C; U-98% 15N]	1.1 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	4.5 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17090_2l1n.nef
Input source #2: Coordindates	2l1n.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
MGITITDELLWAILKDELSDAEANALVWQALGYVWDEAQSCWKTDLVAPEWRQDYPEPPDFIASRPATVKLTRSIPAPYKQLLKEELGFAGYSINELVPR
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGITITDELLWAILKDELSDAEANALVWQALGYVWDEAQSCWKTDLVAPEWRQDYPEPPDFIASRPATVKLTRSIPAPYKQLLKEELGFAGYSINELVPR

-------110-------120
KTRRATMTNWLLAYRRSQQD
||||||||||||||||||||
KTRRATMTNWLLAYRRSQQD

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	120	0	0	100.0

Content subtype: combined_17090_2l1n.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1383		100.0 (chain: A, length: 120)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2594 (1)	noe	100.0 (chain: A, length: 120)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	Warning	476 (472)	.	100.0 (chain: A, length: 120)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 740
  - ¹³C chemical shifts: 513
  - ¹⁵N chemical shifts: 130
- 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	748	740	98.9
¹³C chemical shifts	563	513	91.1
¹⁵N chemical shifts	135	130	96.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	236	234	99.2
¹³C chemical shifts	240	211	87.9
¹⁵N chemical shifts	112	110	98.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	512	506	98.8
¹³C chemical shifts	323	302	93.5
¹⁵N chemical shifts	23	20	87.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	73	73	100.0
¹³C chemical shifts	73	70	95.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	65	98.5
¹³C chemical shifts	60	43	71.7
¹⁵N chemical shifts	6	6	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 100.0%
- Total number of restraints: 2594
- Weight of restraints: 1.0 (2594)
- Potential type of restraints: upper-bound-parabolic (2594)
- Range of distance target values: 2.52, 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: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 100.0%
- Total number of restraints: 472
- Total number of restraints per polymer type: 472
- Weight of restraints: 1.0 (472)
- Potential type of restraints: square-well-parabolic (472)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Cyanobacteria, Hypothetical protein, PE00042D, Synechococcus elongatus PCC 7942, YP_399305.1

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Found 1 Document (0.53 seconds)

BMRB: 17090

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YP 399305.1, : 1 entities Detail

Experiments performed 8 experiments Detail

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NMR combined restraints 4 contents Detail