BMRB Entry 51751

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51751

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Title:
BiP (Grp78) Met Ce, Val g1/g2 and Ile d1 assignment ATP regeneration
Deposition date:
2022-12-22
Original release date:
2025-05-27
Authors:
Mas, Guillaume; Hiller, Sebastian
Citation:

Citation: Mas, Guillaume; Hiller, Sebastian. "The functional cycle of the human Hsp70 chaperone BiP at atomic resolution"  Cell ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 636 residues, Formula weight is not available
entity_ATP, non-polymer, 507.181 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: pet28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: EEEDKKEDVGTVVGIDLGTT YSCVGVFKNGRVEIIANDQG NRITPSYVAFTPEGERLIGD AAKNQLTSNPENTVFDAKRL IGRTWNDPSVQQDIKFLPFK VVEKKTKPYIQVDIGGGQTK TFAPEEISAMVLTKMKETAE AYLGKKVTHAVVTVPAYFND AQRQATKDAGTIAGLNVMRI INEPTAAAIAYGLDKREGEK NILVFDLGGGTFDVSLLTID NGVFEVVATNGDTHLGGEDF DQRVMEHFIKLYKKKTGKDV RKDNRAVQKLRREVEKAKRA LSSQHQARIEIESFYEGEDF SETLTRAKFEELNMDLFRST MKPVQKVLEDSDLKKSDIDE IVLVGGSTRIPKIQQLVKEF FNGKEPSRGINPDEAVAYGA AVQAGVLSGDQDTGDLVLLD VCPLTLGIETVGGVMTKLIP RNTVVPTKKSQIFSTASDNQ PTVTIKVYEGERPLTKDNHL LGTFDLTGIPPAPRGVPQIE VTFEIDVNGILRVTAEDKGT GNKNKITITNDQNRLTPEEI ERMVNDAEKFAEEDKKLKER IDTRNELESYAYSLKNQIGD KEKLGGKLSSEDKETMEKAV EEKIEWLESHQDADIEDFKA KKKELEEIVQPIISKLYGSA GPPPTGEEDTAEKDEL

Data typeCount
13C chemical shifts205
1H chemical shifts615

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1BiP1
2ATP2

Entities:

Entity 1, BiP 636 residues - Formula weight is not available

1   GLUGLUGLUASPLYSLYSGLUASPVALGLY
2   THRVALVALGLYILEASPLEUGLYTHRTHR
3   TYRSERCYSVALGLYVALPHELYSASNGLY
4   ARGVALGLUILEILEALAASNASPGLNGLY
5   ASNARGILETHRPROSERTYRVALALAPHE
6   THRPROGLUGLYGLUARGLEUILEGLYASP
7   ALAALALYSASNGLNLEUTHRSERASNPRO
8   GLUASNTHRVALPHEASPALALYSARGLEU
9   ILEGLYARGTHRTRPASNASPPROSERVAL
10   GLNGLNASPILELYSPHELEUPROPHELYS
11   VALVALGLULYSLYSTHRLYSPROTYRILE
12   GLNVALASPILEGLYGLYGLYGLNTHRLYS
13   THRPHEALAPROGLUGLUILESERALAMET
14   VALLEUTHRLYSMETLYSGLUTHRALAGLU
15   ALATYRLEUGLYLYSLYSVALTHRHISALA
16   VALVALTHRVALPROALATYRPHEASNASP
17   ALAGLNARGGLNALATHRLYSASPALAGLY
18   THRILEALAGLYLEUASNVALMETARGILE
19   ILEASNGLUPROTHRALAALAALAILEALA
20   TYRGLYLEUASPLYSARGGLUGLYGLULYS
21   ASNILELEUVALPHEASPLEUGLYGLYGLY
22   THRPHEASPVALSERLEULEUTHRILEASP
23   ASNGLYVALPHEGLUVALVALALATHRASN
24   GLYASPTHRHISLEUGLYGLYGLUASPPHE
25   ASPGLNARGVALMETGLUHISPHEILELYS
26   LEUTYRLYSLYSLYSTHRGLYLYSASPVAL
27   ARGLYSASPASNARGALAVALGLNLYSLEU
28   ARGARGGLUVALGLULYSALALYSARGALA
29   LEUSERSERGLNHISGLNALAARGILEGLU
30   ILEGLUSERPHETYRGLUGLYGLUASPPHE
31   SERGLUTHRLEUTHRARGALALYSPHEGLU
32   GLULEUASNMETASPLEUPHEARGSERTHR
33   METLYSPROVALGLNLYSVALLEUGLUASP
34   SERASPLEULYSLYSSERASPILEASPGLU
35   ILEVALLEUVALGLYGLYSERTHRARGILE
36   PROLYSILEGLNGLNLEUVALLYSGLUPHE
37   PHEASNGLYLYSGLUPROSERARGGLYILE
38   ASNPROASPGLUALAVALALATYRGLYALA
39   ALAVALGLNALAGLYVALLEUSERGLYASP
40   GLNASPTHRGLYASPLEUVALLEULEUASP
41   VALCYSPROLEUTHRLEUGLYILEGLUTHR
42   VALGLYGLYVALMETTHRLYSLEUILEPRO
43   ARGASNTHRVALVALPROTHRLYSLYSSER
44   GLNILEPHESERTHRALASERASPASNGLN
45   PROTHRVALTHRILELYSVALTYRGLUGLY
46   GLUARGPROLEUTHRLYSASPASNHISLEU
47   LEUGLYTHRPHEASPLEUTHRGLYILEPRO
48   PROALAPROARGGLYVALPROGLNILEGLU
49   VALTHRPHEGLUILEASPVALASNGLYILE
50   LEUARGVALTHRALAGLUASPLYSGLYTHR
51   GLYASNLYSASNLYSILETHRILETHRASN
52   ASPGLNASNARGLEUTHRPROGLUGLUILE
53   GLUARGMETVALASNASPALAGLULYSPHE
54   ALAGLUGLUASPLYSLYSLEULYSGLUARG
55   ILEASPTHRARGASNGLULEUGLUSERTYR
56   ALATYRSERLEULYSASNGLNILEGLYASP
57   LYSGLULYSLEUGLYGLYLYSLEUSERSER
58   GLUASPLYSGLUTHRMETGLULYSALAVAL
59   GLUGLULYSILEGLUTRPLEUGLUSERHIS
60   GLNASPALAASPILEGLUASPPHELYSALA
61   LYSLYSLYSGLULEUGLUGLUILEVALGLN
62   PROILEILESERLYSLEUTYRGLYSERALA
63   GLYPROPROPROTHRGLYGLUGLUASPTHR
64   ALAGLULYSASPGLULEU

Entity 2, ATP - C10 H16 N5 O13 P3 - 507.181 Da.

1   ATP

Samples:

sample_1: BiP (Grp78), [U-13C; U-15N; U-2H; 99% 13C1Hd1-Ile,13C1He-Met, 99% 13C1Hg1/g2-Val], 0.1 mM; ATP 5 mM; Hepes 25 mM; KCl 150 mM; MgCl2 10 mM; Phosphoenol-pyruvate 10 mM

sample_conditions_1: ionic strength: 0.170 M; pD: 7.1; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HMQCsample_1isotropicsample_conditions_1

Software:

CcpNMR v2.5 - data analysis

NMR spectrometers:

  • Bruker AVANCE III 800 MHz