BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	86.9 % (1078 of 1241)	96.9 % (632 of 652)	70.7 % (338 of 478)	97.3 % (108 of 111)
Backbone	82.9 % (517 of 624)	96.8 % (212 of 219)	67.5 % (206 of 305)	99.0 % (99 of 100)
Sidechain	90.8 % (645 of 710)	95.4 % (413 of 433)	83.8 % (223 of 266)	81.8 % (9 of 11)
Aromatic	51.3 % (39 of 76)	100.0 % (38 of 38)	0.0 % (0 of 37)	100.0 % (1 of 1)
Methyl	94.8 % (110 of 116)	93.1 % (54 of 58)	96.6 % (56 of 58)

1. entity

LEKFNVDLMK KAGKELGLSL SPNEIGCTIA DLIQGQYPEI DSKLQRGDII TKFNGDALEG LPFQVCYALF KGANGKVSME VTRPKPGSGG SGSLVPRLLR RNQYWV

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 15N]	1 mM
2	DTT	natural abundance	10 mM
3	TRIS	natural abundance	50 mM
4	sodium chloride	natural abundance	50 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
8	entity	[U-100% 13C; U-100% 15N]	1 mM
9	DTT	natural abundance	10 mM
10	TRIS	natural abundance	50 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	H2O	natural abundance	90 %
14	EDTA	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
15	entity	[U-100% 13C; U-100% 15N]	1 mM
16	DTT	[U-100% 2H]	10 mM
17	TRIS	[U-100% 2H]	50 mM
18	sodium chloride	natural abundance	50 mM
19	EDTA	natural abundance	1 mM
20	D2O	natural abundance	100 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
21	entity	natural abundance	1 mM
22	DTT	[U-100% 2H]	10 mM
23	TRIS	[U-100% 2H]	50 mM
24	sodium chloride	natural abundance	50 mM
25	EDTA	natural abundance	1 mM
26	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: -0.75 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.75 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LA8, Strand ID: A Detail

Release date

2011-08-31

Citation

The INAD scaffold is a dynamic, redox-regulated modulator of signaling in the Drosophila eye
Liu, W., Wen, W., Wei, Z., Yu, J., Ye, F., Liu, C., Hardie, R.C., Zhang, M.
Cell (2011), 145, 1088-1101, PubMed 21703451 , DOI 10.1016/j.cell.2011.05.015 , Abstract

Related entities 1. INAD PDZ5 complexed with Kon-tiki peptide, : 1 : 4 : 64 entities Detail

Interaction partners 1. INAD PDZ5 complexed with Kon-tiki peptide, : 21 interactors Detail

More details for 21 interactors identified by 5 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 15N]	1 mM
2	DTT	natural abundance	10 mM
3	TRIS	natural abundance	50 mM
4	sodium chloride	natural abundance	50 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

2 2D 1H-1H NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
21	entity	natural abundance	1 mM
22	DTT	[U-100% 2H]	10 mM
23	TRIS	[U-100% 2H]	50 mM
24	sodium chloride	natural abundance	50 mM
25	EDTA	natural abundance	1 mM
26	D2O	natural abundance	100 %

3 2D 1H-1H TOCSY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
21	entity	natural abundance	1 mM
22	DTT	[U-100% 2H]	10 mM
23	TRIS	[U-100% 2H]	50 mM
24	sodium chloride	natural abundance	50 mM
25	EDTA	natural abundance	1 mM
26	D2O	natural abundance	100 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
8	entity	[U-100% 13C; U-100% 15N]	1 mM
9	DTT	natural abundance	10 mM
10	TRIS	natural abundance	50 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	H2O	natural abundance	90 %
14	EDTA	natural abundance	10 %

5 3D HNCACB

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
8	entity	[U-100% 13C; U-100% 15N]	1 mM
9	DTT	natural abundance	10 mM
10	TRIS	natural abundance	50 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	H2O	natural abundance	90 %
14	EDTA	natural abundance	10 %

6 3D 1H-15N NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 15N]	1 mM
2	DTT	natural abundance	10 mM
3	TRIS	natural abundance	50 mM
4	sodium chloride	natural abundance	50 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

7 3D 1H-13C NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Concentration
15	entity	[U-100% 13C; U-100% 15N]	1 mM
16	DTT	[U-100% 2H]	10 mM
17	TRIS	[U-100% 2H]	50 mM
18	sodium chloride	natural abundance	50 mM
19	EDTA	natural abundance	1 mM
20	D2O	natural abundance	100 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17515_2la8.nef
Input source #2: Coordindates	2la8.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
LEKFNVDLMKKAGKELGLSLSPNEIGCTIADLIQGQYPEIDSKLQRGDIITKFNGDALEGLPFQVCYALFKGANGKVSMEVTRPKPGSGGSGSLVPRLLR
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LEKFNVDLMKKAGKELGLSLSPNEIGCTIADLIQGQYPEIDSKLQRGDIITKFNGDALEGLPFQVCYALFKGANGKVSMEVTRPKPGSGGSGSLVPRLLR

------
RNQYWV
||||||
RNQYWV

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	106	0	0	100.0

Content subtype: combined_17515_2la8.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1087		100.0 (chain: A, length: 106)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	3790 (1)	noe	100.0 (chain: A, length: 106)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	54 (1)	hbond	35.8 (chain: A, length: 106)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	109 (109)	.	85.8 (chain: A, length: 106)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 643
  - ¹³C chemical shifts: 335
  - ¹⁵N chemical shifts: 109
- 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	652	642	98.5
¹³C chemical shifts	478	335	70.1
¹⁵N chemical shifts	116	109	94.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	219	218	99.5
¹³C chemical shifts	212	106	50.0
¹⁵N chemical shifts	100	100	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	433	424	97.9
¹³C chemical shifts	266	229	86.1
¹⁵N chemical shifts	16	9	56.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	60	100.0
¹³C chemical shifts	60	60	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	38	38	100.0
¹³C chemical shifts	37	0	0.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 100.0%
- Total number of restraints: 3787
- Weight of restraints: 1.0 (3787)
- Potential type of restraints: square-well-parabolic (3787)
- Range of distance target values: 2.13, 5.6 (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
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 35.8%
  - Total number of restraints: 54
  - Weight of restraints: 1.0 (54)
  - Potential type of restraints: square-well-parabolic (54)
  - Range of distance target values: 2.0, 2.75 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - 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: 106, Sequence coverage: 85.8%
- Total number of restraints: 109
- Total number of restraints per polymer type: 109
- Weight of restraints: 1.0 (109)
- Potential type of restraints: square-well-parabolic (109)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords protein

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Found 1 Document (0.965 seconds)

BMRB: 17515

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. INAD PDZ5 complexed with Kon-tiki peptide, : 1 : 4 : 64 entities Detail

Interaction partners 1. INAD PDZ5 complexed with Kon-tiki peptide, : 21 interactors Detail

Experiments performed 7 experiments Detail

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NMR combined restraints 5 contents Detail