BMRB Entry 15418

Name: NMR structure of the S100A6 dimer in complex with a binding fragment of the Siah-1 interacting protein
Published: 2008-10-29

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PDB ID: 2jtt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15418
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of the S100A6 dimer in complex with a binding fragment of the Siah-1 interacting protein PubMed: 18803400

Deposition date: 2007-08-06 Original release date: 2008-10-29

Authors: Lee, Young-Tae; Chazin, Walter

Citation: Lee, Young-Tae; Dimitrova, Yoana; Schneider, Gabriela; Ridenour, Whitney; Bhattacharya, Shibani; Soss, Sarah; Caprioli, Richard; Filipek, Anna; Chazin, Walter. "Structure of the S100A6 complex with a fragment from the C-terminal domain of Siah-1 interacting protein: a novel mode for S100 protein target recognition" Biochemistry 47, 10921-10932 (2008).

Assembly members:
S100A6, polymer, 90 residues, 10168.827 Da.
SIP(189-219), polymer, 35 residues, 3648.154 Da.

Natural source: Common Name: rabbit Taxonomy ID: 9986 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oryctolagus cuniculus

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

Entity Sequences (FASTA):
S100A6: MASPLDQAIGLLIGIFHKYS GKEGDKHTLSKKELKELIQK ELTIGSKLQDAEIVKLMDDL DRNKDQEVNFQEYITFLGAL AMIYNEALKG
SIP(189-219): GPGSSEGLMNVLKKIYEDGD DDMKRTINKAWVESR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
13C chemical shifts	295
15N chemical shifts	113
1H chemical shifts	391

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	protein, 1	1
2	protein, 2	1
3	peptide, 1	2
4	peptide, 2	2

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

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	15-SIP_U-A6	isotropic	All_samples
3D 1H-15N NOESY	15-SIP_U-A6	isotropic	All_samples
3D HNCA	D-SIP_U-A6	isotropic	All_samples
3D HNCACB	D-SIP_U-A6	isotropic	All_samples
3D CBCA(CO)NH	D-SIP_U-A6	isotropic	All_samples
3D HNCO	D-SIP_U-A6	isotropic	All_samples
2D 1H-13C HSQC	13-SIP_U-A6	isotropic	All_samples
3D HCCH-TOCSY	13-SIP_U-A6	isotropic	All_samples
3D 1H-13C NOESY	13-SIP_U-A6	isotropic	All_samples
3D 13C-filtered 15N-edited NOESY	13-SIP_15-A6	isotropic	All_samples
2D 1H-15N HSQC	U-SIP_D_A6	isotropic	All_samples
3D HNCA	U-SIP_D_A6	isotropic	All_samples
3D CBCA(CO)NH	U-SIP_D_A6	isotropic	All_samples

BMRB	4430
PDB	1A03 1CNP 1JWD 2CNP 2JTT 2JTT
DBJ	BAA01707 BAE01932 BAG36086 BAG52713
REF	NP_001182671 NP_001004208 NP_001007215 NP_001029981 NP_001127554 NP_001253590
SP	P30801 Q3T168 Q4R4P3 Q5R6Z8 Q6AYK6 Q9CXW3
EMBL	CAA22910 CAH92462
GB	AAC16757 AAC21458 AAG34170 AAH05975 AAH22352
TPG	DAA21139

Biological Magnetic Resonance Data Bank

BMRB Entry 15418

Title: NMR structure of the S100A6 dimer in complex with a binding fragment of the Siah-1 interacting protein PubMed: 18803400

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

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

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

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