BMRB Entry 18082

Name: SOLUTION NMR-DERIVED STRUCTURE OF CALMODULIN N-LOBE BOUND WITH ER alpha PEPTIDE
Published: 2012-01-30

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PDB ID: 2llo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18082
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: SOLUTION NMR-DERIVED STRUCTURE OF CALMODULIN N-LOBE BOUND WITH ER alpha PEPTIDE PubMed: 22275375

Deposition date: 2011-11-15 Original release date: 2012-01-30

Authors: Zhang, Yonghong

Citation: Zhang, Yonghong; Li, Zhigang; Sacks, David; Ames, James. "Structural basis for Ca2+-induced activation and dimerization of estrogen receptor by calmodulin." J. Biol. Chem. 287, 9336-9344 (2012).

Assembly members:
Calmodulin N-Lobe, polymer, 80 residues, 8914.874 Da.
ER alpha peptide, polymer, 19 residues, 2202.663 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source: Common Name: African clawed frog Taxonomy ID: 8355 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Xenopus laevis

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

Entity Sequences (FASTA):
Calmodulin N-Lobe: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD
ER alpha peptide: RAANLWPSPLMIKRSKKNS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	157
15N chemical shifts	78
1H chemical shifts	295

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	Calmodulin N-Lobe	1
2	ER alpha peptide	2
3	CA2_1	3
4	CA2_2	3

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

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

BMRB	18302 4174
PDB	1AK8 1F70 1J7O 1SW8 2KUG 2LLO 2LQC 2PQ3 3B32 3IFK 3UCT 3UCW 3UCY 4Q57
EMBL	CAA29381 CAB65357 CCD82979 CUA69889
GB	AAH53790 ABY16748 ABY16749 ABY16752 ACH46202
REF	XP_001869424 XP_001995129 XP_002772218 XP_006032607 XP_006137175

Biological Magnetic Resonance Data Bank

BMRB Entry 18082

Title: SOLUTION NMR-DERIVED STRUCTURE OF CALMODULIN N-LOBE BOUND WITH ER alpha PEPTIDE PubMed: 22275375

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

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

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

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