BMRB Entry 34232

Title:
NMR solution structure of monomeric CCL5 in complex with a doubly-sulfated N-terminal segment of CCR5
Deposition date:
2018-01-11
Original release date:
2019-03-18
Authors:
Anglister, J.; Abayev, M.
Citation:

Citation: Abayev, Meital; Rodrigues, Joao; Srivastava, Gautam; Arshava, Boris; Jaremko, Lukasz; Jaremko, Mariusz; Naider, Fred; Levitt, Michael; Anglister, Jacob. "The solution structure of monomeric CCL5 in complex with a doubly sulfated N-terminal segment of CCR5"  FEBS J. 285, 1988-2003 (2018).
PubMed: 29619777

Assembly members:

Assembly members:
entity_1, polymer, 27 residues, 3357.653 Da.
entity_2, polymer, 68 residues, 7809.938 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: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts309
15N chemical shifts69
1H chemical shifts609

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 27 residues - 3357.653 Da.

1   METASPTYRGLNVALSERSERPROILETYS
2   ASPILEASNTYSTYRTHRSERGLUPROALA
3   GLNLYSILEASNVALLYSGLN

Entity 2, entity_2 68 residues - 7809.938 Da.

1   SERPROTYRSERSERASPTHRTHRSERCYS
2   CYSPHEALATYRILEALAARGPROLEUPRO
3   ARGALAHISILELYSGLUTYRPHETYRTHR
4   SERGLYLYSCYSSERASNPROALAVALVAL
5   PHEVALTHRARGLYSASNARGGLNVALCYS
6   ALAASNPROGLULYSLYSTRPVALARGGLU
7   TYRILEASNSERLEUSERMETSER

Samples:

sample_1: entity_1, [U-15N], 120 uM; entity_2, [U-15N], 120 uM

sample_2: entity_1, [U-13C], 120 uM; entity_2, [U-13C], 120 uM

sample_3: entity_1, [U-15N; U-13C], 120 uM; entity_2, [U-15N; U-13C], 120 uM

sample_conditions_1: ionic strength: 130 mM; pH: 4.8; pressure: 1 atm; temperature: 310 K

sample_conditions_2: ionic strength: 130 mM; pH: 4.8; pressure: 1 atm; temperature: 310 K

sample_conditions_3: ionic strength: 130 mM; pH: 4.8; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_3
3D CBCA(CO)NHsample_1isotropicsample_conditions_3
3D HNCAsample_1isotropicsample_conditions_3
3D HNCOsample_1isotropicsample_conditions_3
3D HCCH-TOCSYsample_1isotropicsample_conditions_2
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HCC(CO)NH-TOCSYsample_1isotropicsample_conditions_3
3D CCH-TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESY (double filter)sample_1isotropicsample_conditions_3
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY (edited/filtered)sample_1isotropicsample_conditions_2
2D 1H-1H TOCSY (double filter)sample_1isotropicsample_conditions_3
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_2
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_2

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

HADDOCK, Bonvin - refinement

NMR spectrometers:

  • Bruker AvanceIII 800 MHz