BMRB Entry 7190

Name: The structure and function of a novel two-site calcium-binding fragment of calmodulin
Published: 2007-09-24

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7190

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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:

The structure and function of a novel two-site calcium-binding fragment of calmodulin

Deposition date:

2006-06-22

Original release date:

2007-09-24

Authors:

Lakowski, Ted; Lee, Greg; Reid, Ronald; McIntosh, Lawrence

Citation:

Citation: Lakowski, Ted; Lee, Greg; Okon, M.; Reid, Ronald; McIntosh, Lawrence. "Calcium-induced folding of a fragment of calmodulin composed of EF-hands 2 and 3" Protein Sci. 16, 1119-1132 (2007).
PubMed: 17473011

Assembly members:

Assembly members:
CaM2/3, polymer, 68 residues, 7701 Da.
CA, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: recombinant technology Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CaM2/3: AELQDMINEVDADGNGTIDF PEFLTMMARKMKDTDSEEEI REAFRVFDKDGNGYISAAEL RHVMTNLG

Data sets:

assigned_chemical_shifts
- chem_shift_list_1
heteronucl_NOEs
- heteronucl_NOE_list_1
heteronucl_T1_relaxation
- T1_list_1
heteronucl_T2_relaxation
- T2_list_1

Data type	Count
13C chemical shifts	283
15N chemical shifts	70
1H chemical shifts	449
heteronuclear NOE values	64
T1 relaxation values	64
T2 relaxation values	64

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CaM2/3	1
2	CALCIUM (II) ION, 1	2
3	CALCIUM (II) ION, 2	2

Entities:

Entity 1, CaM2/3 68 residues - 7701 Da.

1

ALA

GLU

LEU

GLN

ASP

MET

ILE

ASN

GLU

VAL

2

ASP

ALA

ASP

GLY

ASN

GLY

THR

ILE

ASP

PHE

3

PRO

GLU

PHE

LEU

THR

MET

ALA

ARG

LYS

4

MET

LYS

ASP

THR

ASP

SER

GLU

ILE

5

ARG

GLU

ALA

PHE

ARG

VAL

PHE

ASP

LYS

ASP

6

GLY

ASN

GLY

TYR

ILE

SER

ALA

GLU

LEU

7

ARG

HIS

VAL

MET

THR

ASN

LEU

GLY

Entity 2, CALCIUM (II) ION, 1 - Ca - 40.078 Da.

1

CA

Samples:

sample_1: CaM2/3, [U-13C; U-15N], 0.5 mM; Tris d11, 11 D, 20 mM; CaCl2 10 mM; KCl 50 mM

sample_2: CaM2/3, [U-15N], 0.2 mM; Tris d11, 11 D, 20 mM; CaCl2 10 mM; KCl 50 mM

conditions_1: pH*: 7.4; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N-1H NOESY-HSQC	not available	not available	conditions_1
SIMULTANEOUS 1H-13C/15N-1H	not available	not available	conditions_1
NOESY-HSQC	not available	not available	conditions_1
AROMATIC 1H-13C-1H	not available	not available	conditions_1
NOESY-HSQC	not available	not available	conditions_1
METHYL 1H-13C/15N-1H NOESY-HSQC	not available	not available	conditions_1

Software:

No software information available

NMR spectrometers:

Varian Unity 500 MHz
Varian Inova 600 MHz

BMRB	11440 16994 19376 25344 6789 7016 7017
PDB	1CMF 1CMG 1YRT 1YRU 2COL 2HF5 2KZ2 2RRT 4BYA
DBJ	BAC39089 BAF45809 BAI66109 BAI66110 BAI66111
EMBL	CAB51566 CAB65357 CCJ31183
GB	AAB87698 AAC23998 AAC23999 AAH07965 AAH10730
REF	XP_001687795 XP_001869425 XP_002404770 XP_004322571 XP_004610315
TPG	DAA24989 DAA24990