BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	92.1 % (539 of 585)	96.4 % (297 of 308)	84.5 % (191 of 226)	100.0 % (51 of 51)
Backbone	98.9 % (271 of 274)	97.8 % (90 of 92)	99.3 % (138 of 139)	100.0 % (43 of 43)
Sidechain	87.9 % (313 of 356)	95.8 % (207 of 216)	74.2 % (98 of 132)	100.0 % (8 of 8)
Aromatic	55.0 % (44 of 80)	92.5 % (37 of 40)	10.8 % (4 of 37)	100.0 % (3 of 3)
Methyl	100.0 % (36 of 36)	100.0 % (18 of 18)	100.0 % (18 of 18)

1. hPCIF1 WW domain

LPEELVHAGW EKCWSRRENR PYYFNRFTNQ SLWEMPVLGQ HDVISDP

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	hPCIF1 WW domain	[U-15N]	0.6 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	DTT	[U-2H]	1 mM
5	sodium azide	natural abundance	1 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	20 mM
9	DTT	[U-2H]	1 mM
10	sodium azide	natural abundance	1 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
11	hPCIF1 WW domain	natural abundance	0.6 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	20 mM
14	DTT	[U-2H]	1 mM
15	sodium azide	natural abundance	1 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
16	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium chloride	natural abundance	20 mM
19	DTT	[U-2H]	1 mM
20	sodium azide	natural abundance	1 mM

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: -0.03 ppm, Outliers: 3 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: -0.03 ppm, Outliers: 3 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: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.31 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JX8, Strand ID: A Detail

Release date

2009-10-14

Citation

1H, 13C and 15N assignments of the tandem WW domains of human MAGI-1/BAP-1
Kouno, T., Iwamoto, Y., Hirose, Y., Aizawa, T., Demura, M., Kawano, K., Ohkuma, Y., Mizuguchi, M.
J. Biomol. NMR (2004), 29, 539-540, PubMed 15243188 , DOI 10.1023/B:JNMR.0000034336.24315.0f , Abstract

Related entities 1. hPCIF1 WW domain monomer, : 1 : 2 : 3 : 11 entities Detail

Interaction partners 1. hPCIF1 WW domain monomer, : 4 interactors Detail

More details for 4 interactors identified by 4 citations

Experiments performed 12 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	hPCIF1 WW domain	[U-15N]	0.6 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	DTT	[U-2H]	1 mM
5	sodium azide	natural abundance	1 mM

2 3D HNHA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	hPCIF1 WW domain	[U-15N]	0.6 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	DTT	[U-2H]	1 mM
5	sodium azide	natural abundance	1 mM

3 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	20 mM
9	DTT	[U-2H]	1 mM
10	sodium azide	natural abundance	1 mM

4 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
11	hPCIF1 WW domain	natural abundance	0.6 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	20 mM
14	DTT	[U-2H]	1 mM
15	sodium azide	natural abundance	1 mM

5 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
16	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium chloride	natural abundance	20 mM
19	DTT	[U-2H]	1 mM
20	sodium azide	natural abundance	1 mM

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
16	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium chloride	natural abundance	20 mM
19	DTT	[U-2H]	1 mM
20	sodium azide	natural abundance	1 mM

7 3D C(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
16	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium chloride	natural abundance	20 mM
19	DTT	[U-2H]	1 mM
20	sodium azide	natural abundance	1 mM

8 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
16	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium chloride	natural abundance	20 mM
19	DTT	[U-2H]	1 mM
20	sodium azide	natural abundance	1 mM

9 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
16	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium chloride	natural abundance	20 mM
19	DTT	[U-2H]	1 mM
20	sodium azide	natural abundance	1 mM

10 3D HCCH-COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	20 mM
9	DTT	[U-2H]	1 mM
10	sodium azide	natural abundance	1 mM

11 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	hPCIF1 WW domain	[U-13C; U-15N]	0.6 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	20 mM
9	DTT	[U-2H]	1 mM
10	sodium azide	natural abundance	1 mM

12 2D 1H-1H TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
11	hPCIF1 WW domain	natural abundance	0.6 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	20 mM
14	DTT	[U-2H]	1 mM
15	sodium azide	natural abundance	1 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15550_2jx8.nef
Input source #2: Coordindates	2jx8.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-------
GPLGSLPEELVHAGWEKCWSRRENRPYYFNRFTNQSLWEMPVLGQHDVISDP
||||||||||||||||||||||||||||||||||||||||||||||||||||
GPLGSLPEELVHAGWEKCWSRRENRPYYFNRFTNQSLWEMPVLGQHDVISDP
--------10--------20--------30--------40--------50--

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	52	0	0	100.0

Content subtype: combined_15550_2jx8.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	539		90.4 (chain: A, length: 52)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	885 (1)	noe	90.4 (chain: A, length: 52)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	33 (33)	.	71.2 (chain: A, length: 52)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 52, Sequence coverage: 90.4%
- Total number of assignments
  - ¹H chemical shifts: 300
  - ¹³C chemical shifts: 187
  - ¹⁵N chemical shifts: 52
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
36	PRO	N	135.18

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	332	300	90.4
¹³C chemical shifts	244	187	76.6
¹⁵N chemical shifts	59	51	86.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	103	92	89.3
¹³C chemical shifts	104	93	89.4
¹⁵N chemical shifts	47	43	91.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	229	208	90.8
¹³C chemical shifts	140	94	67.1
¹⁵N chemical shifts	12	8	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	18	85.7
¹³C chemical shifts	21	18	85.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	37	92.5
¹³C chemical shifts	37	0	0.0
¹⁵N chemical shifts	3	3	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: 52, Sequence coverage: 90.4%
- Total number of restraints: 877
- Weight of restraints: 1.0 (877)
- Potential type of restraints: square-well-parabolic (877)
- Range of distance target values: 2.3, 4.4 (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: 52, Sequence coverage: 71.2%
- Total number of restraints: 33
- Total number of restraints per polymer type: 33
- Weight of restraints: 1.0 (33)
- Potential type of restraints: square-well-parabolic (33)
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords alpha-helix, protein fragment, triple-standed beta-sheet, WW domain

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BMRB: 15550

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. hPCIF1 WW domain monomer, : 1 : 2 : 3 : 11 entities Detail

Interaction partners 1. hPCIF1 WW domain monomer, : 4 interactors Detail

Experiments performed 12 experiments Detail

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NMR combined restraints 4 contents Detail