BMRB Entry 19271

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for CRABPI
Published: 2014-02-13

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19271

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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:

Backbone 1H, 13C, and 15N Chemical Shift Assignments for CRABPI

Deposition date:

2013-05-28

Original release date:

2014-02-13

Authors:

Budyak, Ivan; Zhuravleva, Anastasia; Gierasch, Lila

Citation:

Citation: Budyak, Ivan; Zhuravleva, Anastasia; Gierasch, Lila. "The Role of Aromatic-Aromatic Interactions in Strand-Strand Stabilization of -Sheets." J. Mol. Biol. 425, 3522-3535 (2013).
PubMed: 23810905

Assembly members:

Assembly members:
CRABP1, polymer, 158 residues, 18090 Da.

Natural source:

Natural source: Common Name: House Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-16b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CRABP1: MGHHHHHHHHHHSSGHIEGR HMPNFAGTWKMRSSENFDEL LKALGVNAMLRKVAVAAASK PHVEIRQDGDQFYIKTSTTV RTTEINFKVGEGFEEETVDG RKCRSLPTWENENKIHCTQT LLEGDGPKTYWTRELANDEL ILTFGADDVVCTQIYVRE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	401
15N chemical shifts	130
1H chemical shifts	130

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CRABP1	1

Entities:

Entity 1, CRABP1 158 residues - 18090 Da.

Residues 1-22 represent a non-native affinity tag (His-tag)

1

MET

GLY

HIS

2

HIS

SER

GLY

HIS

ILE

GLU

GLY

ARG

3

HIS

MET

PRO

ASN

PHE

ALA

GLY

THR

TRP

LYS

4

MET

ARG

SER

GLU

ASN

PHE

ASP

GLU

LEU

5

LEU

LYS

ALA

LEU

GLY

VAL

ASN

ALA

MET

LEU

6

ARG

LYS

VAL

ALA

VAL

ALA

SER

LYS

7

PRO

HIS

VAL

GLU

ILE

ARG

GLN

ASP

GLY

ASP

8

GLN

PHE

TYR

ILE

LYS

THR

SER

THR

VAL

9

ARG

THR

GLU

ILE

ASN

PHE

LYS

VAL

GLY

10

GLU

GLY

PHE

GLU

THR

VAL

ASP

GLY

11

ARG

LYS

CYS

ARG

SER

LEU

PRO

THR

TRP

GLU

12

ASN

GLU

ASN

LYS

ILE

HIS

CYS

THR

GLN

THR

13

LEU

GLU

GLY

ASP

GLY

PRO

LYS

THR

TYR

14

TRP

THR

ARG

GLU

LEU

ALA

ASN

ASP

GLU

LEU

15

ILE

LEU

THR

PHE

GLY

ALA

ASP

VAL

16

CYS

THR

GLN

ILE

TYR

VAL

ARG

GLU

Samples:

sample_1: CRABP1, [U-99% 13C; U-99% 15N], 500 ± 10 uM; TRIS, [U-2H], 10 ± 1 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 10 mM; pH: 8.0; pressure: 1 atm; temperature: 273 K

Experiments:

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

Software:

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

CARA, Keller and Wuthrich - chemical shift assignment, refinement

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

Agilent 7700CS 700 MHz
Bruker Avance 600 MHz

PDB	1CBI 1CBR 2CBR
DBJ	BAC32295 BAE25869 BAJ84031
EMBL	CAA30317 CAA33509 CAA33790 CAA36011 CAG33298
GB	AAA30469 AAA30470 AAA40027 AAB20773 AAH22069
PRF	1207174A
REF	NP_001099186 NP_001121964 NP_001268580 NP_004369 NP_038524
SP	P29762 P62964 P62965 P62966
TPG	DAA17503
AlphaFold	P29762 P62964 P62966 P62965