BMRB Entry 17938

Name: Solution Chemical Shifts Assignments of 1H, 13C, and 15N for CAP-Gly
Published: 2011-10-28

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17938

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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:

Solution Chemical Shifts Assignments of 1H, 13C, and 15N for CAP-Gly

Deposition date:

2011-09-14

Original release date:

2011-10-28

Authors:

Yan, Si

Citation:

Citation: Sun, Shangjin; Siglin, Amanda; Williams, John; Polenova, Tatyana. "Solid-State and Solution NMR Studies of the CAP-Gly Domain of Mammalian Dynactin and Its Interaction with Microtubules" J. Am. Chem. Soc. 131, 10113-10126 (2009).
PubMed: 19580321

Assembly members:

Assembly members:
CAP-Gly, polymer, 88 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28b-His6-SMT3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CAP-Gly: TEASARPLRVGSRVEVIGKG HRGTVAYVGATLFATGKWVG VILDEAKGKNDGTVQGRKYF TCDEGHGIFVRQSQIQVFED GADTTSPE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	247
15N chemical shifts	86
1H chemical shifts	300

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CAP-Gly	1

Entities:

Entity 1, CAP-Gly 88 residues - Formula weight is not available

1

THR

GLU

ALA

SER

ALA

ARG

PRO

LEU

ARG

VAL

2

GLY

SER

ARG

VAL

GLU

VAL

ILE

GLY

LYS

GLY

3

HIS

ARG

GLY

THR

VAL

ALA

TYR

VAL

GLY

ALA

4

THR

LEU

PHE

ALA

THR

GLY

LYS

TRP

VAL

GLY

5

VAL

ILE

LEU

ASP

GLU

ALA

LYS

GLY

LYS

ASN

6

ASP

GLY

THR

VAL

GLN

GLY

ARG

LYS

TYR

PHE

7

THR

CYS

ASP

GLU

GLY

HIS

GLY

ILE

PHE

VAL

8

ARG

GLN

SER

GLN

ILE

GLN

VAL

PHE

GLU

ASP

9

GLY

ALA

ASP

THR

SER

PRO

GLU

Samples:

sample_1: CAP-Gly, [U-100% 13C; U-100% 15N], 0.96 mM

sample_conditions_1: ionic strength: 90 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	17937 19025 19031 25005
PDB	1TXQ 2HKN 2HKQ 2HL3 2HL5 2HQH 2M02 2MPX 3E2U 3TQ7
DBJ	BAE34241 BAE37079 BAE42418 BAE42912 BAE87998
EMBL	CAA44091 CAA67333 CAE45882 CAH10572 CAH10575
GB	AAB57773 AAD03694 AAD55811 AAH66061 AAI42510
REF	NP_001092404 NP_001127253 NP_001128512 NP_001177765 NP_001177766
SP	O08788 P28023 Q14203
TPG	DAA24857
AlphaFold	O08788 P28023 Q14203