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BMRB: 16278

2KIL

NMR structure of the H103G mutant SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state

Authors

Erbil, W.K.

Assembly

SO2144

Entity

1. SO2144 (polymer, Thiol state: all free), 181 monomers, 20430.28 Da Detail

MKGIIFNVLE DMVVAQCGMS VWNELLEKHA PKDRVYVSAK SYAESELFSI VQDVAQRLNM PIQDVVKAFG QFLFNGLASR HTDVVDKFDD FTSLVMGIHD VIGLEVNKLY HEPSLPHING QLLPNNQIAL RYSSPRRLCF CAEGLLFGAA QHFQQKIQIS HDTCMHTGAD HCMLIIELQN D

2. CMO (non-polymer), 28.010 Da
3. HEM (non-polymer), 616.487 Da
4. IMD (non-polymer), 69.085 Da

Total weight

21143.861 Da

Max. entity weight

20430.28 Da

Source organism

Shewanella oneidensis MR-1

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 79.3 %, Completeness (bb): 83.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.3 % (1690 of 2130)	86.7 % (955 of 1101)	67.4 % (561 of 832)	88.3 % (174 of 197)
Backbone	83.1 % (892 of 1074)	95.6 % (350 of 366)	69.8 % (372 of 533)	97.1 % (170 of 175)
Sidechain	78.1 % (958 of 1227)	82.3 % (605 of 735)	74.3 % (349 of 470)	18.2 % (4 of 22)
Aromatic	34.4 % (62 of 180)	60.0 % (54 of 90)	7.9 % (7 of 89)	100.0 % (1 of 1)
Methyl	96.8 % (209 of 216)	98.1 % (106 of 108)	95.4 % (103 of 108)

1. SO2144

Show sample condition

Sample #1

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
1	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	K3PO4	natural abundance	50 mM
3	DTT	natural abundance	5 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	imidazole	natural abundance	10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 100% D2O

#	Name	Isotope labeling	Concentration
8	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
9	K3PO4	natural abundance	50 mM
10	DTT	natural abundance	5 mM
11	glycerol	natural abundance	5 %
12	D2O	natural abundance	100 %
13	imidazole	natural abundance	10 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
14	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
15	K3PO4	natural abundance	50 mM
16	DTT	natural abundance	5 mM
17	glycerol	natural abundance	5 %
18	H2O	natural abundance	90 %
19	D2O	natural abundance	10 %
20	imidazole	natural abundance	10 mM

Protein Blocks Logo

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

Release date

2010-05-05

Citation

A structural basis for H-NOX signaling in Shewanella oneidensis by trapping a histidine kinase inhibitory conformation
Erbil, W., Price, M.S., Wemmer, D.E., Marletta, M.A.
Proc. Natl. Acad. Sci. U. S. A. (2009), 106, 19753-19760, PubMed 19918063 , DOI 10.1073/pnas.0911645106 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16276 released on 2010-05-05
Title NMR structure of the SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state

Related entities 1. SO2144, : 1 : 6 : 28 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
1	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	K3PO4	natural abundance	50 mM
3	DTT	natural abundance	5 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	imidazole	natural abundance	10 mM

2 3D HNCA

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
1	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	K3PO4	natural abundance	50 mM
3	DTT	natural abundance	5 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	imidazole	natural abundance	10 mM

3 3D HNCO

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
1	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	K3PO4	natural abundance	50 mM
3	DTT	natural abundance	5 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	imidazole	natural abundance	10 mM

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
1	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	K3PO4	natural abundance	50 mM
3	DTT	natural abundance	5 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	imidazole	natural abundance	10 mM

5 3D HBHA(CO)NH

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
1	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	K3PO4	natural abundance	50 mM
3	DTT	natural abundance	5 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	imidazole	natural abundance	10 mM

6 3D C(CO)NH

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
1	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	K3PO4	natural abundance	50 mM
3	DTT	natural abundance	5 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	imidazole	natural abundance	10 mM

7 3D HCCH-TOCSY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 100% D2O

#	Name	Isotope labeling	Concentration
8	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
9	K3PO4	natural abundance	50 mM
10	DTT	natural abundance	5 mM
11	glycerol	natural abundance	5 %
12	D2O	natural abundance	100 %
13	imidazole	natural abundance	10 mM

8 3D HCCH-COSY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 100% D2O

#	Name	Isotope labeling	Concentration
8	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
9	K3PO4	natural abundance	50 mM
10	DTT	natural abundance	5 mM
11	glycerol	natural abundance	5 %
12	D2O	natural abundance	100 %
13	imidazole	natural abundance	10 mM

9 3D 1H-13C NOESY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
1	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	K3PO4	natural abundance	50 mM
3	DTT	natural abundance	5 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	imidazole	natural abundance	10 mM

10 3D 1H-13C NOESY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 100% D2O

#	Name	Isotope labeling	Concentration
8	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
9	K3PO4	natural abundance	50 mM
10	DTT	natural abundance	5 mM
11	glycerol	natural abundance	5 %
12	D2O	natural abundance	100 %
13	imidazole	natural abundance	10 mM

11 3D 1H-15N NOESY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
14	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
15	K3PO4	natural abundance	50 mM
16	DTT	natural abundance	5 mM
17	glycerol	natural abundance	5 %
18	H2O	natural abundance	90 %
19	D2O	natural abundance	10 %
20	imidazole	natural abundance	10 mM

12 3D 1H-15N TOCSY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
14	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
15	K3PO4	natural abundance	50 mM
16	DTT	natural abundance	5 mM
17	glycerol	natural abundance	5 %
18	H2O	natural abundance	90 %
19	D2O	natural abundance	10 %
20	imidazole	natural abundance	10 mM

13 2D 1H-13C HSQC

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 100% D2O

#	Name	Isotope labeling	Concentration
8	H-NOX	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
9	K3PO4	natural abundance	50 mM
10	DTT	natural abundance	5 mM
11	glycerol	natural abundance	5 %
12	D2O	natural abundance	100 %
13	imidazole	natural abundance	10 mM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16278_2kil.nef
Input source #2: Coordindates	2kil.cif
Diamagnetism of the molecular assembly	False (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
2:1:HEM:FE	4:1:IMD:N1	unknown	unknown	n/a
2:1:HEM:FE	3:1:CMO:C	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	1	CMO	CARBON MONOXIDE	None
C	1	HEM	PROTOPORPHYRIN IX CONTAINING FE	Assigned chemical shifts, Distance restraints
D	1	IMD	IMIDAZOLE	Assigned chemical shifts

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MKGIIFNVLEDMVVAQCGMSVWNELLEKHAPKDRVYVSAKSYAESELFSIVQDVAQRLNMPIQDVVKAFGQFLFNGLASRHTDVVDKFDDFTSLVMGIHD
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MKGIIFNVLEDMVVAQCGMSVWNELLEKHAPKDRVYVSAKSYAESELFSIVQDVAQRLNMPIQDVVKAFGQFLFNGLASRHTDVVDKFDDFTSLVMGIHD

-------110-------120-------130-------140-------150-------160-------170-------180-
VIGLEVNKLYHEPSLPHINGQLLPNNQIALRYSSPRRLCFCAEGLLFGAAQHFQQKIQISHDTCMHTGADHCMLIIELQND
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
VIGLEVNKLYHEPSLPHINGQLLPNNQIALRYSSPRRLCFCAEGLLFGAAQHFQQKIQISHDTCMHTGADHCMLIIELQND

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	181	0	0	100.0

Content subtype: combined_16278_2kil.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1612		96.1 (chain: A, length: 181), 100.0 (chain: C, length: 1), 100.0 (chain: D, length: 1)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	2732 (1)	noe	96.1 (chain: A, length: 181), 100.0 (chain: C, length: 1)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	148 (1)	hbond	59.7 (chain: A, length: 181)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	250 (250)	.	88.4 (chain: A, length: 181)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_5	OK	228 (228)	.	79.6 (chain: A, length: 181)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 181, Sequence coverage: 96.1%
  - Entity_assembly_ID: C, Chain length: 1, Sequence coverage: 100.0%
  - Entity_assembly_ID: D, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 943
  - ¹³C chemical shifts: 502
  - ¹⁵N chemical shifts: 167
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: C
  - Entity_assemble_ID: D
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
166	HIS	HD1	7.139

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1101	928	84.3
¹³C chemical shifts	832	502	60.3
¹⁵N chemical shifts	203	167	82.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	366	347	94.8
¹³C chemical shifts	362	171	47.2
¹⁵N chemical shifts	175	166	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	735	581	79.0
¹³C chemical shifts	470	331	70.4
¹⁵N chemical shifts	28	1	3.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	115	103	89.6
¹³C chemical shifts	115	98	85.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	50	55.6
¹³C chemical shifts	89	0	0.0
¹⁵N chemical shifts	1	1	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	6	25.0
¹³C chemical shifts	34	0	0.0
¹⁵N chemical shifts	4	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	6	25.0
¹³C chemical shifts	34	0	0.0
¹⁵N chemical shifts	4	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	0	0.0
¹³C chemical shifts	4	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	8	0	0.0
¹⁵N chemical shifts	2	0	0.0

Comp_index_ID	Comp_ID
1	IMD

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 181, Sequence coverage: 96.1%
  - Entity_assembly_ID: C, Chain length: 1, Sequence coverage: 100.0%
- Total number of restraints: 2728
- Weight of restraints: 1.0 (2728)
- Potential type of restraints: square-well-parabolic (2728)
- Range of distance target values: 2.0, 4.39 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
  - Chain_ID: C
  - Chain_ID: D
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 181, Sequence coverage: 59.7%
  - Total number of restraints: 148
  - Weight of restraints: 1.0 (148)
  - Potential type of restraints: square-well-parabolic (148)
  - Range of distance target values: 1.95, 2.45 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
      None
    - Chain_ID: C
      None
    - Chain_ID: D
      None
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 181, Sequence coverage: 88.4%
- Total number of restraints: 250
- Total number of restraints per polymer type: 250
- Weight of restraints: 1.0 (250)
- Potential type of restraints: square-well-parabolic (250)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_5

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 181, Sequence coverage: 79.6%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MKGIIFNVLEDMVVAQCGMSVWNELLEKHAPKDRVYVSAKSYAESELFSIVQDVAQRLNMPIQDVVKAFGQFLFNGLASRHTDVVDKFDDFTSLVMGIHD
      |||||||||||||||||||||||                 |||||||||||||||||||||||||||||| ||| |||||||||||||||||||
......NVLEDMVVAQCGMSVWNELLEKH.................LFSIVQDVAQRLNMPIQDVVKAFGQFLFNG.ASR.TDVVDKFDDFTSLVMGIHD
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-------110-------120-------130-------140-------150-------160-------170-------180-
VIGLEVNKLYHEPSLPHINGQLLPNNQIALRYSSPRRLCFCAEGLLFGAAQHFQQKIQISHDTCMHTGADHCMLIIELQND
|||||||||       ||||||||||||||||||||||| |||||||||||||||| |||||| ||||| |||||||||| 
VIGLEVNKL.......HINGQLLPNNQIALRYSSPRRLC.CAEGLLFGAAQHFQQK.QISHDT.MHTGA.HCMLIIELQN 
-------110-------120-------130-------140-------150-------160-------170-------180

Total number of restraints: 228
Potential type of restraints: undefined (228)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None

Keywords H-NOX

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Found 1 Document (1.133 seconds)

BMRB: 16278

Sample #1

Sample #2

Sample #3

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. SO2144, : 1 : 6 : 28 entities Detail

Experiments performed 13 experiments Detail

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NMR combined restraints 6 contents Detail