BMRB Entry 52657

Name: Backbone Chemical Shift Assignments of Unglycosylated CD47 IgV Domain
Published: 2024-10-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52657

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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 Chemical Shift Assignments of Unglycosylated CD47 IgV Domain

Deposition date:

2024-10-24

Original release date:

2024-10-29

Authors:

Key, Shundene; Wang, Xu

Citation:

Citation: Key, Shundene; Neeley, Ethan; Swaminathan, Shri; Podolnikova, Nataly; Ugarova, Tatiana; Wang, Xu. "Refolding of the Recombinant IgV domain of CD47 from E. coli for NMR Drug Screening" .

Assembly members:

Assembly members:
entity_1, polymer, 148 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSQLLFNK TKSVEFTFGNDTVVIPCFVT NMEAQNTTEVYVKWKFKGRD IYTFDGALNKSTVPTDFSSA KIEVSQLLKGDASLKMDKSD AVSHTGNYTCEVTELTREGE TIIELKYR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	196
15N chemical shifts	101
1H chemical shifts	101

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CD47 IgV	1

Entities:

Entity 1, CD47 IgV 148 residues - Formula weight is not available

First 34 residues are His and T7 tags. CD47 IgV domain starts at Q35

1

MET

GLY

SER

HIS

2

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

3

MET

ALA

SER

MET

THR

GLY

GLN

MET

4

GLY

ARG

GLY

SER

GLN

LEU

PHE

ASN

LYS

5

THR

LYS

SER

VAL

GLU

PHE

THR

PHE

GLY

ASN

6

ASP

THR

VAL

ILE

PRO

CYS

PHE

VAL

THR

7

ASN

MET

GLU

ALA

GLN

ASN

THR

GLU

VAL

8

TYR

VAL

LYS

TRP

LYS

PHE

LYS

GLY

ARG

ASP

9

ILE

TYR

THR

PHE

ASP

GLY

ALA

LEU

ASN

LYS

10

SER

THR

VAL

PRO

THR

ASP

PHE

SER

ALA

11

LYS

ILE

GLU

VAL

SER

GLN

LEU

LYS

GLY

12

ASP

ALA

SER

LEU

LYS

MET

ASP

LYS

SER

ASP

13

ALA

VAL

SER

HIS

THR

GLY

ASN

TYR

THR

CYS

14

GLU

VAL

THR

GLU

LEU

THR

ARG

GLU

GLY

GLU

15

THR

ILE

GLU

LEU

LYS

TYR

ARG

Samples:

sample_1: CD47 IgV, [U-100% 13C; U-100% 15N; U-80% 2H], 0.2 mM; D2O, [U-100% 2H], 5%; ammonium sulfate 0.1 M; sodium chloride 0.1 M; HEPES 0.02 M

sample_conditions_1: ionic strength: 0.8 M; pH: 7; pressure: 1 atm; temperature: 283 K

Experiments:

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

Software:

NMRPipe - processing

NMRViewJ - data analysis

PINE - chemical shift assignment

MARS - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 600 MHz