BMRB Entry 52565

Name: NMR Assignment of murine CCL2-P8A Variant
Published: 2025-07-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52565

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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:

NMR Assignment of murine CCL2-P8A Variant

Deposition date:

2024-07-24

Original release date:

2025-07-15

Authors:

Tripathi, Deepak Kumar; Kumar, Dinesh; Poluri, Krishna Mohan

Citation:

Citation: Tripathi, Deepak Kumar; Gulati, Khushboo; Pramanik, Siddhartha Das; Roy, Partha; Kumar, Dinesh; Poluri, Krishna Mohan. "NMR Elucidation of Structure\u2013Dynamics\u2013Function Relationship of Engineered CCL2 Chemokine Monomer" Mag. Res. Chem. ., .-. (2025).

Assembly members:

Assembly members:
entity_1, polymer, 76 residues, Formula weight is not available

Natural source:

Natural source: Common Name: 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: QPDAVNAALTCCYSFTSKMI PMSRLESYKRITSSRCPKEA VVFVTKLKREVCADPKKEWV QTYIKNLDRNQMRSEP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	206
15N chemical shifts	71
1H chemical shifts	73

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CCL2-P8A Variant	1

Entities:

Entity 1, CCL2-P8A Variant 76 residues - Formula weight is not available

1

GLN

PRO

ASP

ALA

VAL

ASN

ALA

LEU

THR

2

CYS

TYR

SER

PHE

THR

SER

LYS

MET

ILE

3

PRO

MET

SER

ARG

LEU

GLU

SER

TYR

LYS

ARG

4

ILE

THR

SER

ARG

CYS

PRO

LYS

GLU

ALA

5

VAL

PHE

VAL

THR

LYS

LEU

LYS

ARG

GLU

6

VAL

CYS

ALA

ASP

PRO

LYS

GLU

TRP

VAL

7

GLN

THR

TYR

ILE

LYS

ASN

LEU

ASP

ARG

ASN

8

GLN

MET

ARG

SER

GLU

PRO

Samples:

sample_1: CCL2-P8A Variant, [U-98% 13C; U-98% 15N], 1 mM; Sodium phosphate buffer 50 mM; Sodium chloride 100 mM; Glycerol 1%

sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	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 HNCACB	sample_1	isotropic	sample_conditions_1

Software:

CARA v1.9.1.7 - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks