BMRB Entry 19739

Title:
Structural Insights into Calcium Bound S100P - V Domain of the receptor for advanced glycation end products (RAGE) Complex
Deposition date:
2014-01-19
Original release date:
2014-11-03
Authors:
Penumutchu, Srinivasa
Citation:

Citation: Penumutchu, Srinivasa; Chou, Ruey-Hwang; Yu, Chin. "Structural insights into calcium-bound S100P and the V domain of the RAGE complex"  PLoS One 9, e103947-e103947 (2014).
PubMed: 25084534

Assembly members:

Assembly members:
entity_1, polymer, 101 residues, 11217.104 Da.
entity_2, polymer, 188 residues, 20547.553 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-15b(+)

Data sets:
Data typeCount
13C chemical shifts214
15N chemical shifts81
1H chemical shifts443

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1V-domain of Rage_11
2V-domain of Rage_21
3Calcium Bound S100P2

Entities:

Entity 1, V-domain of Rage_1 101 residues - 11217.104 Da.

1   ALAMETALAGLNASNILETHRALAARGILE
2   GLYGLUPROLEUVALLEULYSCYSLYSGLY
3   ALAPROLYSLYSPROPROGLNARGLEUGLU
4   TRPLYSLEUASNTHRGLYARGTHRGLUALA
5   TRPLYSVALLEUSERPROGLNGLYGLYGLY
6   PROTRPASPSERVALALAARGVALLEUPRO
7   ASNGLYSERLEUPHELEUPROALAVALGLY
8   ILEGLNASPGLUGLYILEPHEARGCYSGLN
9   ALAMETASNARGASNGLYLYSGLUTHRLYS
10   SERASNTYRARGVALARGVALTYRGLNILE
11   PRO

Entity 2, Calcium Bound S100P 188 residues - 20547.553 Da.

1   METTHRGLULEUGLUTHRALAMETGLYMET
2   ILEILEASPVALPHESERARGTYRSERGLY
3   SERGLUGLYSERTHRGLNTHRLEUTHRLYS
4   GLYGLULEULYSVALLEUMETGLULYSGLU
5   LEUPROGLYPHELEUGLNSERGLYLYSASP
6   LYSASPALAVALASPLYSLEULEULYSASP
7   LEUASPALAASNGLYASPALAGLNVALASP
8   PHESERGLUPHEILEVALPHEVALALAALA
9   ILETHRSERALACYSHISLYSTYRPHEGLU
10   LYSALAGLYLEUMETTHRGLULEUGLUTHR
11   ALAMETGLYMETILEILEASPVALPHESER
12   ARGTYRSERGLYSERGLUGLYSERTHRGLN
13   THRLEUTHRLYSGLYGLULEULYSVALLEU
14   METGLULYSGLULEUPROGLYPHELEUGLN
15   SERGLYLYSASPLYSASPALAVALASPLYS
16   LEULEULYSASPLEUASPALAASNGLYASP
17   ALAGLNVALASPPHESERGLUPHEILEVAL
18   PHEVALALAALAILETHRSERALACYSHIS
19   LYSTYRPHEGLULYSALAGLYLEU

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 0.6 mM; entity_2, [U-100% 13C; U-100% 15N], 0.6 mM; Tris-HCl 20 mM; KCl 100 mM; CaCl2 4 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 700 MHz

Related Database Links:

BMRB 17378 19953 17866
PDB
DBJ BAA05958 BAA89369 BAC65465 BAG35995 BAG60385 BAJ20330
GB AAA03574 AAB47491 AAH20669 AAX07272 AAX07273 AAH06819 AAO41114 AAP35953 AAX31997 AAX31998
REF NP_001127 NP_001192046 NP_001193858 NP_001193863 NP_001193865 NP_005971 XP_001091876 XP_002814597 XP_003310290 XP_003816512
SP Q15109 P25815
EMBL CAA46566
AlphaFold Q15109 P25815

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