BMRB Entry 15144

Name: Side-chain relaxation in SH3 domain from alpha-spectrin measured at multiple temperatures
Published: 2007-05-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15144

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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:

Side-chain relaxation in SH3 domain from alpha-spectrin measured at multiple temperatures

Deposition date:

2007-02-24

Original release date:

2007-05-10

Authors:

Xue, Yi; Pavlova, Maria; Ryabov, Yaroslav; Reif, Bernd; Skrynnikov, Nikolai

Citation:

Citation: Xue, Yi; Pavlova, Maria; Ryabov, Yaroslav; Reif, Bernd; Skrynnikov, Nikolai. "Methyl rotation barriers in proteins from 2H relaxation data. Implications for protein structure" J. Am. Chem. Soc. 129, 6827-6838 (2007).
PubMed: 17488010

Assembly members:

Assembly members:
SH3_domain_from_chicken_alpha-spectrin, polymer, 62 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3_domain_from_chicken_alpha-spectrin: MDETGKELVLALYDYQEKSP REVTMKKGDILTLLNSTNKD WWKVEVNDRQGFVPAAYVKK LD

Data sets:

Data type	Count
order parameters	244
T1 relaxation values	252
T2 relaxation values	252

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit 1	1

Entities:

Entity 1, unit 1 62 residues - Formula weight is not available

1

MET

ASP

GLU

THR

GLY

LYS

GLU

LEU

VAL

LEU

2

ALA

LEU

TYR

ASP

TYR

GLN

GLU

LYS

SER

PRO

3

ARG

GLU

VAL

THR

MET

LYS

GLY

ASP

ILE

4

LEU

THR

LEU

ASN

SER

THR

ASN

LYS

ASP

5

TRP

LYS

VAL

GLU

VAL

ASN

ASP

ARG

GLN

6

GLY

PHE

VAL

PRO

ALA

TYR

VAL

LYS

7

LEU

ASP

Samples:

pyruvate_sample: SH3, [U-15N; U-2H; amide 90%-1H; Leu, Val, Ile-g methyl 40%-1H; Leu, Val, Ile-g methyl 100%-13C], 1.0 mM; H2O 90%; D2O 10%

glucose_sample: SH3, [U-15N; U-13C; 50%-2H, amide 10%-2H], 1.5 mM; H2O 90%; D2O 10%

pyruvate_sample_condition_1: pH: 3.5; temperature: 283 K

pyruvate_sample_condition_2: pH: 3.5; temperature: 290 K

pyruvate_sample_condition_3: pH: 3.5; temperature: 297 K

pyruvate_sample_condition_4: pH: 3.5; temperature: 303 K

glucose_sample_condition_1: pH: 3.5; temperature: 283 K

glucose_sample_condition_2: pH: 3.5; temperature: 290 K

glucose_sample_condition_3: pH: 3.5; temperature: 297 K

glucose_sample_condition_4: pH: 3.5; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
methyl 2H R1	pyruvate_sample	isotropic	pyruvate_sample_condition_1
methyl 2H R2	pyruvate_sample	isotropic	pyruvate_sample_condition_1
methyl 2H R1	glucose_sample	isotropic	glucose_sample_condition_1
methyl 2H R2	glucose_sample	isotropic	glucose_sample_condition_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Varian INOVA 600 MHz

BMRB	15013 17915
PDB	1AEY 1BK2 1HD3 1M8M 1NEG 1PWT 1QKW 1QKX 1SHG 1U06 2CDT 2F2V 2F2W 2F2X 2JM8 2JM9 2JMA 2JMC 2LJ3 2NUZ 3M0P 3M0Q 3M0R 3M0S 3M0T 3M0U 3THK 4F16 4F17
DBJ	BAD52438 BAD93097 BAG57892 BAG62120 BAG72795
EMBL	CAA29435 CAA32663 CAA62350 CAB53710 CAF90367
GB	AAA51702 AAA51790 AAA52468 AAB41498 AAB60364
REF	NP_001036003 NP_001090674 NP_001091958 NP_001107628 NP_001123910
SP	P07751 P16086 P16546 Q13813
TPG	DAA24188
AlphaFold	P07751 P16086 P16546 Q13813