BMRB Entry 17735

Name: Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scatting, NESG target SfR339/OCSP target sf3636
Published: 2011-07-18

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PDB ID: 2lf0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17735
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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:

Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scatting, NESG target SfR339/OCSP target sf3636

Deposition date:

2011-06-27

Original release date:

2011-07-18

Authors:

Wu, Bin; Lemak, Alexander; Yee, Adelinda; Lee, Hsiau-Wei; Gutmanas, Aleksandras; Semesi, Anthony; Garcia, Maite; Fang, Xianyang; Wang, Yun-xing; Prestegard, James; Arrowsmith, Cheryl

Citation:

Citation: Wu, Bin; Lemak, Alexander; Yee, Adelinda; Lee, Hsiau-Wei; Gutmanas, Aleksandras; Semesi, Anthony; Garcia, Maite; Fang, Xianyang; Wang, Yun-xing; Prestegard, James; Arrowsmith, Cheryl. "Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scatting" .

Assembly members:

Assembly members:
sf3636, polymer, 120 residues, 13754.187 Da.

Natural source:

Natural source: Common Name: Enterobacteria Taxonomy ID: 42897 Superkingdom: Bacteria Kingdom: not available Genus/species: Shigella Shigella flexneri

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p15Tv lic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
sf3636: MKEVEKNEIKRLSDRLDAIR HQQADLSLVEAADKYAELEK EKATLEAEIARLREVHSQKL SKEAQKLMKMPFQRAITKKE QADMGKLKKSVRGLVVVHPM TALGREMGLEEMTGFSKTTF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	528
15N chemical shifts	120
1H chemical shifts	879

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	sf3636_1	1

Entities:

Entity 1, sf3636_1 120 residues - 13754.187 Da.

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

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

PDB	2LF0
DBJ	BAB37901 BAB87813 BAE77690 BAG79406 BAI28153
EMBL	CAP78056 CAQ33926 CAR00570 CAR05225 CAR10416
GB	AAB18579 AAC76626 AAG58746 AAN45083 AAN82857
REF	NP_312505 NP_418059 NP_709376 WP_000573545 WP_000665666
SP	P0ADK8 P0ADK9 P0ADL0
AlphaFold	P0ADK8 P0ADK9 P0ADL0

BMRB Entry 17735

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

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

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

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