BMRB Entry 26670

Name: order parameters for the CaM(E84K):nNOS(p) complex
Published: 2017-06-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26670

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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:

order parameters for the CaM(E84K):nNOS(p) complex

Deposition date:

2015-09-21

Original release date:

2017-06-27

Authors:

Harpole, Kyle; Kasinath, Vignesh; Lim, Jackwee; Valentine, Kathleen; Sharp, Kim; Wand, Joshua

Citation:

Citation: Caro, Jose; Harpole, Kyle; Kasinath, Vignesh; Lim, Jackwee; Granja, Jeffrey; Valentine, Kathleen; Sharp, Kim; Wand, A Joshua. "Entropy in molecular recognition by proteins" Proc. Natl. Acad. Sci. U.S.A. 114, 6563-6568 (2017).
PubMed: 28584100

Assembly members:

Assembly members:
Calmodulin(E84K), polymer, 148 residues, Formula weight is not available
nNOS(p), polymer, 25 residues, Formula weight is not available

Natural source:

Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Calmodulin(E84K): ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEkIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK
nNOS(p): GSKRRAIGFKKLAEAVKFSA KLMGQ

Data sets:

order_parameters

Data type	Count
order parameters	164

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Calmodulin (E84K)	1
2	nNOS(p)	2

Entities:

Entity 1, Calmodulin (E84K) 148 residues - Formula weight is not available

1

ALA

ASP

GLN

LEU

THR

GLU

GLN

ILE

ALA

2

GLU

PHE

LYS

GLU

ALA

PHE

SER

LEU

PHE

ASP

3

LYS

ASP

GLY

ASP

GLY

THR

ILE

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

ALA

ARG

LYS

MET

LYS

ASP

THR

ASP

9

SER

GLU

LYS

ILE

ARG

GLU

ALA

PHE

ARG

10

VAL

PHE

ASP

LYS

ASP

GLY

ASN

GLY

TYR

ILE

11

SER

ALA

GLU

LEU

ARG

HIS

VAL

MET

THR

12

ASN

LEU

GLY

GLU

LYS

LEU

THR

ASP

GLU

13

VAL

ASP

GLU

MET

ILE

ARG

GLU

ALA

ASP

ILE

14

ASP

GLY

ASP

GLY

GLN

VAL

ASN

TYR

GLU

15

PHE

VAL

GLN

MET

THR

ALA

LYS

Entity 2, nNOS(p) 25 residues - Formula weight is not available

1

GLY

SER

LYS

ARG

ALA

ILE

GLY

PHE

LYS

2

LYS

LEU

ALA

GLU

ALA

VAL

LYS

PHE

SER

ALA

3

LYS

LEU

MET

GLY

GLN

Samples:

CaM_rlx_sample: Calmodulin(E84K), [U-99% 15N], 0.4 mM; Calmodulin(E84K), [U-13C; U-2H], 1 mM; nNOS(p) 1.55 mM

nNOS_rlx_sample: Calmodulin(E84K), [U-99% 15N], 1.4 mM; nNOS(p), [U-13C; U-15N; U-2H], 1.15 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N T1,T2,NOE	CaM_rlx_sample	isotropic	sample_conditions_1
2H IzCz-compensated Dz and Dy	CaM_rlx_sample	isotropic	sample_conditions_1
2H IzCz-compensated Dz and Dy	nNOS_rlx_sample	isotropic	sample_conditions_1

Software:

Felix, Accelrys Software Inc. - data analysis

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 750 MHz