BMRB Entry 19036

Name: NMR structure of the complex of an N-terminally acetylated alpha-synuclein peptide with calmodulin
Published: 2013-05-06

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PDB ID: 2m55
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19036
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of the complex of an N-terminally acetylated alpha-synuclein peptide with calmodulin PubMed: 23607618

Deposition date: 2013-02-13 Original release date: 2013-05-06

Authors: Gruschus, James; Yap, Thai Leong; Pistolesi, Sara; Maltsev, Alexander; Lee, Jennifer

Citation: Gruschus, James; Yap, Thai Leong; Pistolesi, Sara; Maltsev, Alexander; Lee, Jennifer. "NMR Structure of Calmodulin Complexed to an N-Terminally Acetylated -Synuclein Peptide." Biochemistry 52, 3436-3445 (2013).

Assembly members:
calmodulin, polymer, 148 residues, 16721.465 Da.
peptide, polymer, 20 residues, 1953.383 Da.
ACETYL GROUP, non-polymer, 44.053 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
calmodulin: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK
peptide: MDVFMKGLSKAKEGVVAAAX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	308
15N chemical shifts	157
1H chemical shifts	341

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	calmodulin	1
2	peptide	2
3	ACETYL GROUP	3
4	CALCIUM ION_1	4
5	CALCIUM ION_2	4
6	CALCIUM ION_3	4
7	CALCIUM ION_4	4

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	anisotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_3	anisotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Related Database Links:

BMRB	15184 15185 15186 15187 15188 15191 15470 15624 15650 15852 1634 16418 16465 1648 16764 17264 17360 17771 17807 18027 18028 18556 19238 19586 19604 25253 25257 26503 26626 26627 4056 4270 4284 4310 16300 16302 16342 16543 16546 16547 16548 16904 17214 17498 17665 18232 18857 18860 19257 19337 19338 19344 19345 19346 19347 19348 19349 19350 19351 5744 6968
PDB	1A29 1CFC 1CFD 1CFF 1CKK 1CLL 1CM1 1CM4 1CTR 1DMO 1G4Y 1IQ5 1IWQ 1K90 1K93 1L7Z 1LIN 1LVC 1MUX 1MXE 1NWD 1OOJ 1PRW 1QIV 1QIW 1QX5 1S26 1SK6 1SY9 1UP5 1WRZ 1X02 1XA5 1XFU 1XFV 1XFW 1XFY 1XFZ 1Y0V 1YR5 2BBM 2BBN 2BCX 2BKH 2BKI 2DFS 2F2O 2F2P 2F3Y 2F3Z 2FOT 2HQW 2JZI 2K0E 2K0F 2K0J 2K61 2KDU 2KNE 2L53 2L7L 2LGF 2LL6 2LL7 2LV6 2M0J 2M0K 2M55 2MG5 2MGU 2O5G 2O60 2R28 2V01 2V02 2VAS 2VAY 2VB6 2W73 2WEL 2X0G 2X51 2Y4V 2YGG 3BXK 3BXL 3BYA 3CLN 3DVE 3DVJ 3DVK 3DVM 3EK4 3EK7 3EK8 3EKH 3EVU 3EVV 3EWT 3EWV 3G43 3GN4 3GOF 3HR4 3IF7 3J41 3L9I 3O77 3O78 3OXQ 3SG2 3SG3 3SG4 3SG5 3SG6 3SG7 3SJQ 3SUI 3U0K 3WFN 4ANJ 4BW7 4BW8 4BYF 4CLN 4DBP 4DBQ 4DCK 4DJC 4E50 4EHQ 4G27 4G28 4HEX 4IK1 4IK3 4IK4 4IK5 4IK8 4IK9 4J9Y 4J9Z 4JPZ 4JQ0 4L79 4LZX 4M1L 4PJJ 4Q5U 4QNH 4R8G 4UMO 4UPU 4V0C 1XQ8 2KKW 2M55 3Q25 3Q29
DBJ	BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 BAA06625 BAB29375 BAE33670 BAF82858 BAG73790
EMBL	CAA10601 CAA32050 CAA32062 CAA32119 CAA32120 CAG33339 CAG46454
GB	AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 AAA16117 AAA93538 AAA98487 AAA98493 AAB20688
PIR	JC1305 MCON
PRF	0409298A 0608335A
REF	NP_001008160 NP_001009759 NP_001027633 NP_001039714 NP_001040234 NP_000336 NP_001009158 NP_001029213 NP_001032222 NP_001035916
SP	O02367 O16305 O96081 P02594 P05932 O55042 P37377 P37840 P61138 P61139
TPG	DAA13808 DAA18029 DAA19590 DAA24777 DAA24988 DAA28796

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

1		MET	ASP	VAL	PHE	MET	LYS	GLY	LEU	SER	LYS
2		ALA	LYS	GLU	GLY	VAL	VAL	ALA	ALA	ALA	NH2

Biological Magnetic Resonance Data Bank

BMRB Entry 19036

Title: NMR structure of the complex of an N-terminally acetylated alpha-synuclein peptide with calmodulin PubMed: 23607618

Additional metadata:

Assembly:

Entities:

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Software:

NMR spectrometers:

Related Database Links:

1		MET	ASP	VAL	PHE	MET	LYS	GLY	LEU	SER	LYS
2		ALA	LYS	GLU	GLY	VAL	VAL	ALA	ALA	ALA	NH2

1		MET	ASP	VAL	PHE	MET	LYS	GLY	LEU	SER	LYS
2		ALA	LYS	GLU	GLY	VAL	VAL	ALA	ALA	ALA	NH2

1		MET	ASP	VAL	PHE	MET	LYS	GLY	LEU	SER	LYS
2		ALA	LYS	GLU	GLY	VAL	VAL	ALA	ALA	ALA	NH2