BMRB Entry 17453

Name: Oligomeric Structure of the Chemokine CCL5/RANTES from NMR, MS, and SAXS Data
Published: 2011-08-17

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PDB ID: 2l9h
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17453
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Oligomeric Structure of the Chemokine CCL5/RANTES from NMR, MS, and SAXS Data

Deposition date:

2011-02-09

Original release date:

2011-08-17

Authors:

Wang, Xu; Watson, Caroline; Sharp, Joshua; Handel, Tracy; Prestegard, James

Citation:

Citation: Wang, Xu; Watson, Caroline; Sharp, Joshua; Handel, Tracy; Prestegard, James. "Oligomeric Structure of the Chemokine CCL5/RANTES from NMR, MS, and SAXS Data." Structure 19, 1138-1148 (2011).
PubMed: 21827949

Assembly members:

Assembly members:
ccl5, polymer, 68 residues, 7774.992 Da.

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: pET-23

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ccl5: SPYSSDTTPCCFAYIARPLP RAHIKEYFYTSGKCSNPAVV FVTRKNRQVCANPEKKWVRE YINSLEMS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	59
1H chemical shifts	58

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	chain_1	1
2	chain_2	1
3	chain_3	1
4	chain_4	1

Entities:

Entity 1, chain_1 68 residues - 7774.992 Da.

1

SER

PRO

TYR

SER

ASP

THR

PRO

CYS

2

CYS

PHE

ALA

TYR

ILE

ALA

ARG

PRO

LEU

PRO

3

ARG

ALA

HIS

ILE

LYS

GLU

TYR

PHE

TYR

THR

4

SER

GLY

LYS

CYS

SER

ASN

PRO

ALA

VAL

5

PHE

VAL

THR

ARG

LYS

ASN

ARG

GLN

VAL

CYS

6

ALA

ASN

PRO

GLU

LYS

TRP

VAL

ARG

GLU

7

TYR

ILE

ASN

SER

LEU

GLU

MET

SER

Samples:

sample_1: ccl5, [U-100% 15N], 1 mM; sodium acetate 50 mM; H2O 90%; D2O 10%

sample_2: ccl5, [U-100% 15N], 1 mM; sodium acetate 50 mM; polyacrylamide 5%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 4.4; pressure: 1 atm; temperature: 297 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N J-mod TROSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_2	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	anisotropic	sample_conditions_1
2D 1H-15N J-mod TROSY	sample_2	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

NAMD, Phillips, Braun, Wang, Gumbart, Tajkhorshid, Villa, Chipot, Skeel, Kale, and Schulte - refinement

NMRView, Johnson, One Moon Scientific - data analysis

VNMRJ, Varian - collection

VMD, Humphrey, Dalke & Schulten. - refinement

NMR spectrometers:

Varian INOVA 800 MHz
Varian INOVA 900 MHz

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