BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	98.0 % (1141 of 1164)	97.6 % (602 of 617)	98.7 % (440 of 446)	98.0 % (99 of 101)
Backbone	98.5 % (575 of 584)	98.5 % (197 of 200)	98.3 % (283 of 288)	99.0 % (95 of 96)
Sidechain	97.9 % (658 of 672)	97.1 % (405 of 417)	99.6 % (249 of 250)	80.0 % (4 of 5)
Aromatic	100.0 % (52 of 52)	100.0 % (26 of 26)	100.0 % (25 of 25)	100.0 % (1 of 1)
Methyl	100.0 % (98 of 98)	100.0 % (49 of 49)	100.0 % (49 of 49)

1. WNKAI

GAMDPQEETG VRVELAEEDD GEKIAIKLWL RIEDIKKLKG KYKDNEAIEF SFDLERDVPE DVAQEMVESG YVCEGDHKTM AKAIKDRVSL IKRKREQR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	WNKAI	[U-100% 13C; U-100% 15N]		0.65 mM

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: -0.35 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: -0.35 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: -0.02 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: -0.02 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2012-04-23

Citation

Solution structure of the WNK1 autoinhibitory domain, a WNK-specific PF2 domain
Moon, T.M., Correa, F., Kinch, L.N., Piala, A.T., Gardner, K.H., Goldsmith, E.J.
J. Mol. Biol. (2013), 425, 1245-1252, PubMed 23376100 , DOI 10.1016/j.jmb.2013.01.031 , Abstract

Related entities 1. WNK1 Autoinhibitory Domain, : 1 : 6 : 36 entities Detail

Interaction partners 1. WNK1 Autoinhibitory Domain, : 67 interactors Detail

More details for 67 interactors identified by 18 citations

Experiments performed 9 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18398_2lru.nef
Input source #2: Coordindates	2lru.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

---480-------490-------500-------510-------520-------530-------540-------550-------560-------570--
GAMDPQEETGVRVELAEEDDGEKIAIKLWLRIEDIKKLKGKYKDNEAIEFSFDLERDVPEDVAQEMVESGYVCEGDHKTMAKAIKDRVSLIKRKREQR
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GAMDPQEETGVRVELAEEDDGEKIAIKLWLRIEDIKKLKGKYKDNEAIEFSFDLERDVPEDVAQEMVESGYVCEGDHKTMAKAIKDRVSLIKRKREQR
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	98	0	0	100.0

Content subtype: combined_18398_2lru.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1137		99.0 (chain: A, length: 98)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	3762 (1)	noe	99.0 (chain: A, length: 98)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	145 (145)	.	88.8 (chain: A, length: 98)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 98, Sequence coverage: 99.0%
- Total number of assignments
  - ¹H chemical shifts: 602
  - ¹³C chemical shifts: 438
  - ¹⁵N chemical shifts: 97
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	617	602	97.6
¹³C chemical shifts	446	438	98.2
¹⁵N chemical shifts	108	97	89.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	200	195	97.5
¹³C chemical shifts	196	189	96.4
¹⁵N chemical shifts	96	93	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	417	407	97.6
¹³C chemical shifts	250	249	99.6
¹⁵N chemical shifts	12	4	33.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	51	98.1
¹³C chemical shifts	52	51	98.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	26	100.0
¹³C chemical shifts	25	25	100.0
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: 98, Sequence coverage: 99.0%
- Total number of restraints: 3760
- Weight of restraints: 1.0 (3760)
- Potential type of restraints: square-well-parabolic (3760)
- Range of distance target values: 1.41, 3.56 (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: 98, Sequence coverage: 88.8%
- Total number of restraints: 145
- Total number of restraints per polymer type: 145
- Weight of restraints: 1.0 (145)
- Potential type of restraints: square-well-parabolic (145)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords autoinhibitory domain, PF2 domain, WNK1

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Found 1 Document (1.813 seconds)

BMRB: 18398

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. WNK1 Autoinhibitory Domain, : 1 : 6 : 36 entities Detail

Interaction partners 1. WNK1 Autoinhibitory Domain, : 67 interactors Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 4 contents Detail