BMRB Entry 16376

Name: Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R].
Published: 2009-07-06

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PDB ID: 2kkz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16376
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R].

Deposition date:

2009-06-29

Original release date:

2009-07-06

Authors:

Aramini, James; Ma, Li-Chung; Lee, Hsiau-Wei; Zhao, Li; Cunningham, Kellie; Ciccosanti, Colleen; Janjua, Haleema; Fang, Yingyi; Xiao, Rong; Krug, Robert; Montelione, Gaetano

Citation:

Citation: Aramini, James; Ma, Li-Chung; Lee, Hsiau-Wei; Zhao, Li; Cunningham, Kellie; Ciccosanti, Colleen; Janjua, Haleema; Fang, Yingyi; Xiao, Rong; Krug, Robert; Montelione, Gaetano. "Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R]." .

Assembly members:

Assembly members:
OR8w187r, polymer, 140 residues, 15935.479 Da.

Natural source:

Natural source: Common Name: Influenzavirus A Taxonomy ID: 197911 Superkingdom: Viruses Kingdom: not available Genus/species: Influenza A not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: OR8C-W187R-21.1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
OR8w187r: MPASRYITDMTIEELSRDWF MLMPKQKVEGPLCIRIDQAI MDKNIMLKANFSVIFDRLET LILLRAFTEEGAIVGEISPL PSFPGHTIEDVKNAIGVLIG GLERNDNTVRVSKTLQRFAW GSSNENGRPPLTLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	614
15N chemical shifts	139
1H chemical shifts	988

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	OR8w187r	1

Entities:

Entity 1, OR8w187r 140 residues - 15935.479 Da.

1	MET	PRO	ALA	SER	ARG	TYR	ILE	THR	ASP	MET
2	THR	ILE	GLU	GLU	LEU	SER	ARG	ASP	TRP	PHE
3	MET	LEU	MET	PRO	LYS	GLN	LYS	VAL	GLU	GLY
4	PRO	LEU	CYS	ILE	ARG	ILE	ASP	GLN	ALA	ILE
5	MET	ASP	LYS	ASN	ILE	MET	LEU	LYS	ALA	ASN
6	PHE	SER	VAL	ILE	PHE	ASP	ARG	LEU	GLU	THR
7	LEU	ILE	LEU	LEU	ARG	ALA	PHE	THR	GLU	GLU
8	GLY	ALA	ILE	VAL	GLY	GLU	ILE	SER	PRO	LEU
9	PRO	SER	PHE	PRO	GLY	HIS	THR	ILE	GLU	ASP
10	VAL	LYS	ASN	ALA	ILE	GLY	VAL	LEU	ILE	GLY
11	GLY	LEU	GLU	ARG	ASN	ASP	ASN	THR	VAL	ARG
12	VAL	SER	LYS	THR	LEU	GLN	ARG	PHE	ALA	TRP
13	GLY	SER	SER	ASN	GLU	ASN	GLY	ARG	PRO	PRO
14	LEU	THR	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D simultaneous CN NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC high resolution (L/V methyl stereoassignment)	sample_2	isotropic	sample_conditions_1
2D 1H-15N hetNOE	sample_2	isotropic	sample_conditions_1
1D 1H-15N T1 and T2	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY (RDCs)	sample_2	anisotropic	sample_conditions_1

PDB	2KKZ 2RHK 3EE8 3EE9 3KWG 3KWI
DBJ	BAJ13312
EMBL	CAA24288
GB	AAC36138 AAO46755 AAO46757 AAO46759 AAO46765
SP	P03495 Q1PUD3 Q288Z0 Q2ICQ4 Q2RFA0
AlphaFold	P03495 Q1PUD3 Q288Z0 Q2ICQ4 Q2RFA0

BMRB Entry 16376

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	MET	PRO	ALA	SER	ARG	TYR	ILE	THR	ASP	MET
2	THR	ILE	GLU	GLU	LEU	SER	ARG	ASP	TRP	PHE
3	MET	LEU	MET	PRO	LYS	GLN	LYS	VAL	GLU	GLY
4	PRO	LEU	CYS	ILE	ARG	ILE	ASP	GLN	ALA	ILE
5	MET	ASP	LYS	ASN	ILE	MET	LEU	LYS	ALA	ASN
6	PHE	SER	VAL	ILE	PHE	ASP	ARG	LEU	GLU	THR
7	LEU	ILE	LEU	LEU	ARG	ALA	PHE	THR	GLU	GLU
8	GLY	ALA	ILE	VAL	GLY	GLU	ILE	SER	PRO	LEU
9	PRO	SER	PHE	PRO	GLY	HIS	THR	ILE	GLU	ASP
10	VAL	LYS	ASN	ALA	ILE	GLY	VAL	LEU	ILE	GLY
11	GLY	LEU	GLU	ARG	ASN	ASP	ASN	THR	VAL	ARG
12	VAL	SER	LYS	THR	LEU	GLN	ARG	PHE	ALA	TRP
13	GLY	SER	SER	ASN	GLU	ASN	GLY	ARG	PRO	PRO
14	LEU	THR	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

1	MET	PRO	ALA	SER	ARG	TYR	ILE	THR	ASP	MET
2	THR	ILE	GLU	GLU	LEU	SER	ARG	ASP	TRP	PHE
3	MET	LEU	MET	PRO	LYS	GLN	LYS	VAL	GLU	GLY
4	PRO	LEU	CYS	ILE	ARG	ILE	ASP	GLN	ALA	ILE
5	MET	ASP	LYS	ASN	ILE	MET	LEU	LYS	ALA	ASN
6	PHE	SER	VAL	ILE	PHE	ASP	ARG	LEU	GLU	THR
7	LEU	ILE	LEU	LEU	ARG	ALA	PHE	THR	GLU	GLU
8	GLY	ALA	ILE	VAL	GLY	GLU	ILE	SER	PRO	LEU
9	PRO	SER	PHE	PRO	GLY	HIS	THR	ILE	GLU	ASP
10	VAL	LYS	ASN	ALA	ILE	GLY	VAL	LEU	ILE	GLY
11	GLY	LEU	GLU	ARG	ASN	ASP	ASN	THR	VAL	ARG
12	VAL	SER	LYS	THR	LEU	GLN	ARG	PHE	ALA	TRP
13	GLY	SER	SER	ASN	GLU	ASN	GLY	ARG	PRO	PRO
14	LEU	THR	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

1	MET	PRO	ALA	SER	ARG	TYR	ILE	THR	ASP	MET
2	THR	ILE	GLU	GLU	LEU	SER	ARG	ASP	TRP	PHE
3	MET	LEU	MET	PRO	LYS	GLN	LYS	VAL	GLU	GLY
4	PRO	LEU	CYS	ILE	ARG	ILE	ASP	GLN	ALA	ILE
5	MET	ASP	LYS	ASN	ILE	MET	LEU	LYS	ALA	ASN
6	PHE	SER	VAL	ILE	PHE	ASP	ARG	LEU	GLU	THR
7	LEU	ILE	LEU	LEU	ARG	ALA	PHE	THR	GLU	GLU
8	GLY	ALA	ILE	VAL	GLY	GLU	ILE	SER	PRO	LEU
9	PRO	SER	PHE	PRO	GLY	HIS	THR	ILE	GLU	ASP
10	VAL	LYS	ASN	ALA	ILE	GLY	VAL	LEU	ILE	GLY
11	GLY	LEU	GLU	ARG	ASN	ASP	ASN	THR	VAL	ARG
12	VAL	SER	LYS	THR	LEU	GLN	ARG	PHE	ALA	TRP
13	GLY	SER	SER	ASN	GLU	ASN	GLY	ARG	PRO	PRO
14	LEU	THR	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS