BMRB Entry 4963

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4963

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Chemical Shift Assignments and Coupling Constants for the rat Nedd4 WWIII domain - rat ENaC bP2 Peptide Complex

Deposition date:

2001-02-27

Original release date:

2001-04-30

Authors:

Kanelis, Voula; Rotin, Daniela; Forman-Kay, Julie

Citation:

Citation: Kanelis, Voula; Rotin, Daniela; Forman-Kay, Julie. "Chemical Shift Assignments and Coupling Constants for the rat Nedd4 WWIII domain - rat ENaC bP2 Peptide Complex" Nat. Struct. Biol. 8, 407-412 (2001).

Assembly members:

Assembly members:
rat Nedd4 WWIII domain, polymer, 50 residues, 5659 Da.
rat epithelial Na+ Channel, bP2 region, polymer, 17 residues, 1726 Da.

Natural source:

Natural source: Common Name: Norway rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX4T2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
rat Nedd4 WWIII domain: GSPVDSNDLGPLPPGWEERT HTDGRVFFINHNIKKTQWED PRMQNVAITG
rat epithelial Na+ Channel, bP2 region: GSTLPIPGTPPPNYDSL

Data sets:

assigned_chemical_shifts
- shift_set_for_molecule_W
- shift_set_for_molecule_B
coupling_constants

Data type	Count
1H chemical shifts	447
13C chemical shifts	281
15N chemical shifts	76
coupling constants	89

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	rNedd4 WWIII domain	1
2	rENaC bP2 peptide	2

Entities:

Entity 1, rNedd4 WWIII domain 50 residues - 5659 Da.

1	GLY	SER	PRO	VAL	ASP	SER	ASN	ASP	LEU	GLY
2	PRO	LEU	PRO	PRO	GLY	TRP	GLU	GLU	ARG	THR
3	HIS	THR	ASP	GLY	ARG	VAL	PHE	PHE	ILE	ASN
4	HIS	ASN	ILE	LYS	LYS	THR	GLN	TRP	GLU	ASP
5	PRO	ARG	MET	GLN	ASN	VAL	ALA	ILE	THR	GLY

Entity 2, rENaC bP2 peptide 17 residues - 1726 Da.

1

GLY

SER

THR

LEU

PRO

ILE

PRO

GLY

THR

PRO

2

PRO

ASN

TYR

ASP

SER

LEU

Samples:

Sample_1: rat Nedd4 WWIII domain, [U-13C; U-15N], 1.0 mM; rat epithelial Na+ Channel, bP2 region 3.0 mM; sodium phosphate 10 mM; EDTA 0.005 mM; aprotinin 0.01 mM; leupeptin 0.005 mM; AEBSF 0.005 mM; D2O 10%

Sample_2: rat Nedd4 WWIII domain, [U-13C; U-15N], 1.0 mM; rat epithelial Na+ Channel, bP2 region 3.0 mM; sodium phosphate 10 mM; EDTA 0.005 mM; aprotinin 0.01 mM; leupeptin 0.005 mM; AEBSF 0.005 mM; D2O 100%

Sample_3: rat epithelial Na+ Channel, bP2 region, [U-13C; U-15N], 1.0 mM; rat Nedd4 WWIII domain 3.0 mM; sodium phosphate 10 mM; EDTA 0.005 mM; aprotinin 0.01 mM; leupeptin 0.005 mM; AEBSF 0.005 mM; D2O 10%

Sample_4: rat epithelial Na+ Channel, bP2 region, [U-13C; U-15N], 1.0 mM; rat Nedd4 WWIII domain 3.0 mM; sodium phosphate 10 mM; EDTA 0.005 mM; aprotinin 0.01 mM; leupeptin 0.005 mM; AEBSF 0.005 mM; D2O 100%

Ex-cond_1: pH: 6.5; temperature: 303 K; ionic strength: 0.01 M; pressure: 1.01325 atm

Experiments:

Name	Sample	Sample state	Sample conditions
15N-hsqc	not available	not available	Ex-cond_1
13C-hsqc, aliphatic and aromatic regions	not available	not available	Ex-cond_1
HNCO	not available	not available	Ex-cond_1
HNCaCb	not available	not available	Ex-cond_1
(Hb)CbCa(CO)NNH	not available	not available	Ex-cond_1
CCC-TOCSY-NNH	not available	not available	Ex-cond_1
HCC-TOCSY-NNH	not available	not available	Ex-cond_1
HCCH-TOCSY (sample 2 only)	not available	not available	Ex-cond_1
HCCH-COSY (sample 1 only)	not available	not available	Ex-cond_1
(Hb)CbCa(CO) N CaHa (sample 2 only)	not available	not available	Ex-cond_1
HaCa N (sample 2 only)	not available	not available	Ex-cond_1
15N/13C-edited NOESY-HSQC, 50 ms and 150 ms	not available	not available	Ex-cond_1
HNHa-J	not available	not available	Ex-cond_1
(Hb)Cb(CgCd)Hd	not available	not available	Ex-cond_1
(Hb)Cb(CgCd)Ce)He	not available	not available	Ex-cond_1
HMBC (sample 1 only)	not available	not available	Ex-cond_1
HNCOCa COHaCa cross (sample 2 only)	not available	not available	Ex-cond_1
HNCOCa HNHa cross (sample 2 only)	not available	not available	Ex-cond_1
HaCaHb-J (sample 2 only)	not available	not available	Ex-cond_1
HN(CO)Hb (sample 1 only)	not available	not available	Ex-cond_1
HNHb (sample 1 only)	not available	not available	Ex-cond_1
13C F1-filtered, F3-edited NOESY-HSQC, 250 ms	not available	not available	Ex-cond_1
long range Jcc (sample 1 only)	not available	not available	Ex-cond_1
HNCO-trosy (sample 1 only)	not available	not available	Ex-cond_1

PDB	1I5H 1I5H
EMBL	CAA10572 CAA10572
GB	EPQ17691
REF	NP_001076244 XP_005882394 XP_006753700 XP_007986058 NP_001076244
SP	O97742
SWISS-PROT	O97742
AlphaFold	O97742

BMRB Entry 4963

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	GLY	SER	PRO	VAL	ASP	SER	ASN	ASP	LEU	GLY
2	PRO	LEU	PRO	PRO	GLY	TRP	GLU	GLU	ARG	THR
3	HIS	THR	ASP	GLY	ARG	VAL	PHE	PHE	ILE	ASN
4	HIS	ASN	ILE	LYS	LYS	THR	GLN	TRP	GLU	ASP
5	PRO	ARG	MET	GLN	ASN	VAL	ALA	ILE	THR	GLY

1	GLY	SER	PRO	VAL	ASP	SER	ASN	ASP	LEU	GLY
2	PRO	LEU	PRO	PRO	GLY	TRP	GLU	GLU	ARG	THR
3	HIS	THR	ASP	GLY	ARG	VAL	PHE	PHE	ILE	ASN
4	HIS	ASN	ILE	LYS	LYS	THR	GLN	TRP	GLU	ASP
5	PRO	ARG	MET	GLN	ASN	VAL	ALA	ILE	THR	GLY

1	GLY	SER	PRO	VAL	ASP	SER	ASN	ASP	LEU	GLY
2	PRO	LEU	PRO	PRO	GLY	TRP	GLU	GLU	ARG	THR
3	HIS	THR	ASP	GLY	ARG	VAL	PHE	PHE	ILE	ASN
4	HIS	ASN	ILE	LYS	LYS	THR	GLN	TRP	GLU	ASP
5	PRO	ARG	MET	GLN	ASN	VAL	ALA	ILE	THR	GLY