BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 27682

Title: Backbone amide and AILV methyl chemical shift assignments for H2-Ld, a mouse class I major histocompatibility molecule heavy chain   PubMed: 31796585

Deposition date: 2018-11-05 Original release date: 2020-02-28

Authors: Overall, Sarah

Citation: McShan, Andrew; Devlin, Christine; Overall, Sarah; Park, Jihye; Toor, Jugmohit; Moschidi, Danai; Flores-Solis, David; Choi, Hannah; Tripathi, Sarvind; Procko, Erik; Sgourakis, Nikolaos. "Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection"  Proc. Natl. Acad. Sci. U.S.A. 116, 25602-25613 (2019).

Assembly members:
H-2Ld, polymer, 277 residues, Formula weight is not available
hb2m, polymer, 99 residues, Formula weight is not available
NIH_peptide, polymer, 9 residues, Formula weight is not available

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

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

Entity Sequences (FASTA):
H-2Ld: MPHSMRYFETAVSRPGLGEP RYISVGYVDNKEFVRFDSDA ENPRYEPQAPWMEQEGPEYW ERITQIAKGQEQWFRVNLRT LLGYYNQSAGGTHTLQWMYG CDVGSDGRLLRGYEQFAYDG CDYIALNEDLKTWTAADMAA QITRRKWEQAGAAEYYRAYL EGECVEWLHRYLKNGNATLL RTDSPKAHVTHHPRSKGEVT LRCWALGFYPADITLTWQLN GEELTQDMELVETRPAGDGT FQKWASVVVPLGKEQNYTCR VYHEGLPEPLTLRWEPP
hb2m: IQRTPKIQVYSRHPAENGKS NFLNCYVSGFHPSDIEVDLL KNGERIEKVEHSDLSFSKDW SFYLLYYTEFTPTEKDEYAC RVNHVTLSQPKIVKWDRDM
NIH_peptide: YPNVNIHNF

Data sets:
Data typeCount
13C chemical shifts765
15N chemical shifts235
1H chemical shifts464

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1H-2Ld1
2hb2m2
3NIH3

Entities:

Entity 1, H-2Ld 277 residues - Formula weight is not available

1   METPROHISSERMETARGTYRPHEGLUTHR
2   ALAVALSERARGPROGLYLEUGLYGLUPRO
3   ARGTYRILESERVALGLYTYRVALASPASN
4   LYSGLUPHEVALARGPHEASPSERASPALA
5   GLUASNPROARGTYRGLUPROGLNALAPRO
6   TRPMETGLUGLNGLUGLYPROGLUTYRTRP
7   GLUARGILETHRGLNILEALALYSGLYGLN
8   GLUGLNTRPPHEARGVALASNLEUARGTHR
9   LEULEUGLYTYRTYRASNGLNSERALAGLY
10   GLYTHRHISTHRLEUGLNTRPMETTYRGLY
11   CYSASPVALGLYSERASPGLYARGLEULEU
12   ARGGLYTYRGLUGLNPHEALATYRASPGLY
13   CYSASPTYRILEALALEUASNGLUASPLEU
14   LYSTHRTRPTHRALAALAASPMETALAALA
15   GLNILETHRARGARGLYSTRPGLUGLNALA
16   GLYALAALAGLUTYRTYRARGALATYRLEU
17   GLUGLYGLUCYSVALGLUTRPLEUHISARG
18   TYRLEULYSASNGLYASNALATHRLEULEU
19   ARGTHRASPSERPROLYSALAHISVALTHR
20   HISHISPROARGSERLYSGLYGLUVALTHR
21   LEUARGCYSTRPALALEUGLYPHETYRPRO
22   ALAASPILETHRLEUTHRTRPGLNLEUASN
23   GLYGLUGLULEUTHRGLNASPMETGLULEU
24   VALGLUTHRARGPROALAGLYASPGLYTHR
25   PHEGLNLYSTRPALASERVALVALVALPRO
26   LEUGLYLYSGLUGLNASNTYRTHRCYSARG
27   VALTYRHISGLUGLYLEUPROGLUPROLEU
28   THRLEUARGTRPGLUPROPRO

Entity 2, hb2m 99 residues - Formula weight is not available

1   ILEGLNARGTHRPROLYSILEGLNVALTYR
2   SERARGHISPROALAGLUASNGLYLYSSER
3   ASNPHELEUASNCYSTYRVALSERGLYPHE
4   HISPROSERASPILEGLUVALASPLEULEU
5   LYSASNGLYGLUARGILEGLULYSVALGLU
6   HISSERASPLEUSERPHESERLYSASPTRP
7   SERPHETYRLEULEUTYRTYRTHRGLUPHE
8   THRPROTHRGLULYSASPGLUTYRALACYS
9   ARGVALASNHISVALTHRLEUSERGLNPRO
10   LYSILEVALLYSTRPASPARGASPMET

Entity 3, NIH 9 residues - Formula weight is not available

1   TYRPROASNVALASNILEHISASNPHE

Samples:

sample_CND_H-2Ld: H-2Ld, [U-13C; U-15N; U-2H], 0.4 mM

sample_AILV_H_2Ld: H-2Ld, Ala 13C ; Ile 13C 1; Leu 13C 1/13C 2; Val 13C 1/13C 2) U-[15N, 2H, 0.6 mM

sample_conditions_CND_H-2Ld: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 298 K

sample_conditions_AILV_H_2Ld: ionic strength: 0.05 M; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_CND_H-2Ldisotropicsample_conditions_CND_H-2Ld
3D HNCAsample_CND_H-2Ldisotropicsample_conditions_CND_H-2Ld
3D HNCBsample_CND_H-2Ldisotropicsample_conditions_CND_H-2Ld
3D 1H-13C NOESYsample_AILV_H_2Ldisotropicsample_conditions_AILV_H_2Ld
3D 1H-15N NOESYsample_AILV_H_2Ldisotropicsample_conditions_AILV_H_2Ld

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts