BMRBj - BMREntryMaster

Found 1 Document (1.022 seconds)

BMRB: 16276

2KII

NMR structure of the 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, 20510.37 Da Detail

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

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

Total weight

21154.865 Da

Max. entity weight

20510.37 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: 96.7 %, Completeness: 88.7 %, Completeness (bb): 95.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.7 % (1894 of 2136)	89.9 % (992 of 1104)	86.3 % (721 of 835)	91.9 % (181 of 197)
Backbone	95.7 % (1028 of 1074)	96.4 % (352 of 365)	95.1 % (508 of 534)	96.0 % (168 of 175)
Sidechain	83.4 % (1029 of 1234)	86.6 % (640 of 739)	79.5 % (376 of 473)	59.1 % (13 of 22)
Aromatic	54.3 % (100 of 184)	78.3 % (72 of 92)	29.7 % (27 of 91)	100.0 % (1 of 1)
Methyl	98.6 % (213 of 216)	99.1 % (107 of 108)	98.1 % (106 of 108)

1. SO2144

Show sample condition

Sample #1

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

Protein Blocks Logo

Calculated from 20 models in PDB: 2KII, 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: 16278 released on 2010-05-05
Title NMR structure of the H103G mutant SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state

Related entities 1. SO2144, : 1 : 1 : 5 : 30 entities Detail

Experiments performed 20 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 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

2 3D HNCA

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

3 3D HNCO

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

4 3D HNCACB

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

5 3D CBCA(CO)NH

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

6 3D HNHA

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 3D HBHA(CO)NH

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

8 3D HN(CA)CO

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

9 3D H(CCO)NH

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

10 3D C(CO)NH

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

11 3D HCCH-TOCSY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

12 3D HCCH-COSY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

13 3D 1H-13C NOESY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 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 %

14 3D 1H-13C NOESY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

15 3D 1H-15N NOESY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

16 2D 13C-filtered [F1,F2] NOESY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

17 2D 1H-1H NOESY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

18 2D 1H-1H TOCSY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

19 2D DQF-COSY

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

20 2D 1H-13C HSQC

Instrument

Bruker DRX - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O

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

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16276_2kii.nef
Input source #2: Coordindates	2kii.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)
1:103:HIS:NE2	2:1:HEM:FE	unknown	unknown	n/a
3:1:CMO:C	2:1:HEM:FE	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

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-
VIHLEVNKLYHEPSLPHINGQLLPNNQIALRYSSPRRLCFCAEGLLFGAAQHFQQKIQISHDTCMHTGADHCMLIIELQND
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
VIHLEVNKLYHEPSLPHINGQLLPNNQIALRYSSPRRLCFCAEGLLFGAAQHFQQKIQISHDTCMHTGADHCMLIIELQND

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_16276_2kii.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	1885		96.1 (chain: A, length: 181), 100.0 (chain: C, length: 1)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	4285 (1)	noe	95.0 (chain: A, length: 181), 100.0 (chain: C, length: 1)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	150 (1)	hbond	60.2 (chain: A, length: 181)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	277 (277)	.	92.3 (chain: A, length: 181)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_4	OK	262 (262)	.	84.0 (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%
- Total number of assignments
  - ¹H chemical shifts: 1000
  - ¹³C chemical shifts: 709
  - ¹⁵N chemical shifts: 176
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: C
- 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)
103	HIS	HD1	10.743
166	HIS	HD1	6.982

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1104	972	88.0
¹³C chemical shifts	835	709	84.9
¹⁵N chemical shifts	203	176	86.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	365	349	95.6
¹³C chemical shifts	362	342	94.5
¹⁵N chemical shifts	175	166	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	739	623	84.3
¹³C chemical shifts	473	367	77.6
¹⁵N chemical shifts	28	10	35.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	115	105	91.3
¹³C chemical shifts	115	104	90.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	92	71	77.2
¹³C chemical shifts	91	24	26.4
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

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 181, Sequence coverage: 95.0%
  - Entity_assembly_ID: C, Chain length: 1, Sequence coverage: 100.0%
- Total number of restraints: 4284
- Weight of restraints: 1.0 (4284)
- Potential type of restraints: square-well-parabolic (4284)
- Range of distance target values: 2.0, 4.17 (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
- 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: 60.2%
  - Total number of restraints: 150
  - Weight of restraints: 1.0 (150)
  - Potential type of restraints: square-well-parabolic (150)
  - Range of distance target values: 2.4, 3.35 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
      None
    - Chain_ID: C
      None
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 181, Sequence coverage: 92.3%
- Total number of restraints: 277
- Total number of restraints per polymer type: 277
- Weight of restraints: 1.0 (277)
- Potential type of restraints: square-well-parabolic (277)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_4

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 181, Sequence coverage: 84.0%

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

-------110-------120-------130-------140-------150-------160-------170-------180-
VIHLEVNKLYHEPSLPHINGQLLPNNQIALRYSSPRRLCFCAEGLLFGAAQHFQQKIQISHDTCMHTGADHCMLIIELQND
|||||| |       |||||||| |||||||||||||| |||||||||||||||| |||||||||||||||||||||||| 
VIHLEV.K.......PHINGQLL.NNQIALRYSSPRRL.FCAEGLLFGAAQHFQQ.IQISHDTCMHTGADHCMLIIELQN 
-------110-------120-------130-------140-------150-------160-------170-------180

Total number of restraints: 262
Potential type of restraints: undefined (262)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None

Keywords H-NOX

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.022 seconds)

BMRB: 16276

Sample #1

Sample #2

Sample #3

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. SO2144, : 1 : 1 : 5 : 30 entities Detail

Experiments performed 20 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 6 contents Detail