BMRB Entry 50721

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50721

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Title:
Phospholamban bound to SERCA in oriented bicelles (calcium-bound E1 state)
Deposition date:
2021-01-18
Original release date:
2021-05-18
Authors:
Weber, Daniel; Sanz-Hernandez, Maximo; Uddigiri, Venkateswara Reddy; Wang, Songlin; Larsen, Erik; Gopinath, Tata; Gustavsson, Martin; Cornea, Razvan; Thomas, David; De Simone, Alfonso; Veglia, Gianluigi
Citation:

Citation: Weber, Daniel; Reddy, U Venkateswara; Wang, Songlin; Larsen, Erik; Gopinath, Tata; Gustavsson, Martin; Cornea, Razvan; Thomas, David; De Simone, Alfonso; Veglia, Gianluigi. "Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca 2+ and phosphorylation"  Elife 10, e66226-e66226 (2021).
PubMed: 33978571

Assembly members:

Assembly members:
entity_1, polymer, 53 residues, 6166 Da.
entity_2, polymer, 1001 residues, Formula weight is not available
entity_CA, non-polymer, 40.078 Da.

Natural source:

Natural source:   Common Name: rabbit   Taxonomy ID: 9986   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oryctolagus cuniculus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pMal-c2x

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AMEKVQYLTRSAIRRASTIE MPQQARQNLQNLFINFALIL IFLLLIAIIVMLL
entity_2: MEAAHSKSTEECLAYFGVSE TTGLTPDQVKRHLEKYGHNE LPAEEGKSLWELVIEQFEDL LVRILLLAACISFVLAWFEE GEETITAFVEPFVILLILIA NAIVGVWQERNAENAIEALK EYEPEMGKVYRADRKSVQRI KARDIVPGDIVEVAVGDKVP ADIRILSIKSTTLRVDQSIL TGESVSVIKHTEPVPDPRAV NQDKKNMLFSGTNIAAGKAL GIVATTGVSTEIGKIRDQMA ATEQDKTPLQQKLDEFGEQL SKVISLICVAVWLINIGHFN DPVHGGSWIRGAIYYFKIAV ALAVAAIPEGLPAVITTCLA LGTRRMAKKNAIVRSLPSVE TLGCTSVICSDKTGTLTTNQ MSVCKMFIIDKVDGDFCSLN EFSITGSTYAPEGEVLKNDK PIRSGQFDGLVELATICALC NDSSLDFNETKGVYEKVGEA TETALTTLVEKMNVFNTEVR NLSKVERANACNSVIRQLMK KEFTLEFSRDRKSMSVYCSP AKSSRAAVGNKMFVKGAPEG VIDRCNYVRVGTTRVPMTGP VKEKILSVIKEWGTGRDTLR CLALATRDTPPKREEMVLDD SSRFMEYETDLTFVGVVGML DPPRKEVMGSIQLCRDAGIR VIMITGDNKGTAIAICRRIG IFGENEEVADRAYTGREFDD LPLAEQREACRRACCFARVE PSHKSKIVEYLQSYDEITAM TGDGVNDAPALKKAEIGIAM GSGTAVAKTASEMVLADDNF STIVAAVEEGRAIYNNMKQF IRYLISSNVGEVVCIFLTAA LGLPEALIPVQLLWVNLVTD GLPATALGFNPPDLDIMDRP PRSPKEPLISGWLFFRYMAI GGYVGAATVGAAAWWFMYAE DGPGVTYHQLTHFMQCTEDH PHFEGLDCEIFEAPEPMTMA LSVLVTIEMCNALNSLSENQ SLMRMPPWVNIWLLGSICLS MSLHFLILYVDPLPMIFKLK ALDLTQWLMVLKISLPVIGL DEILKFIARNYLEDPEDERR K

Data sets:
Data typeCount
15N chemical shifts10
dipolar coupling values10

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1PLN1
2SERCA2
3CA, ion3

Entities:

Entity 1, PLN 53 residues - 6166 Da.

Monomeric cysteine-null mutant (C36A/C41F/C46A). N-terminal Ala0 left over from cleavage of MBP fusion protein.

1   ALAMETGLULYSVALGLNTYRLEUTHRARG
2   SERALAILEARGARGALASERTHRILEGLU
3   METPROGLNGLNALAARGGLNASNLEUGLN
4   ASNLEUPHEILEASNPHEALALEUILELEU
5   ILEPHELEULEULEUILEALAILEILEVAL
6   METLEULEU

Entity 2, SERCA 1001 residues - Formula weight is not available

1   METGLUALAALAHISSERLYSSERTHRGLU
2   GLUCYSLEUALATYRPHEGLYVALSERGLU
3   THRTHRGLYLEUTHRPROASPGLNVALLYS
4   ARGHISLEUGLULYSTYRGLYHISASNGLU
5   LEUPROALAGLUGLUGLYLYSSERLEUTRP
6   GLULEUVALILEGLUGLNPHEGLUASPLEU
7   LEUVALARGILELEULEULEUALAALACYS
8   ILESERPHEVALLEUALATRPPHEGLUGLU
9   GLYGLUGLUTHRILETHRALAPHEVALGLU
10   PROPHEVALILELEULEUILELEUILEALA
11   ASNALAILEVALGLYVALTRPGLNGLUARG
12   ASNALAGLUASNALAILEGLUALALEULYS
13   GLUTYRGLUPROGLUMETGLYLYSVALTYR
14   ARGALAASPARGLYSSERVALGLNARGILE
15   LYSALAARGASPILEVALPROGLYASPILE
16   VALGLUVALALAVALGLYASPLYSVALPRO
17   ALAASPILEARGILELEUSERILELYSSER
18   THRTHRLEUARGVALASPGLNSERILELEU
19   THRGLYGLUSERVALSERVALILELYSHIS
20   THRGLUPROVALPROASPPROARGALAVAL
21   ASNGLNASPLYSLYSASNMETLEUPHESER
22   GLYTHRASNILEALAALAGLYLYSALALEU
23   GLYILEVALALATHRTHRGLYVALSERTHR
24   GLUILEGLYLYSILEARGASPGLNMETALA
25   ALATHRGLUGLNASPLYSTHRPROLEUGLN
26   GLNLYSLEUASPGLUPHEGLYGLUGLNLEU
27   SERLYSVALILESERLEUILECYSVALALA
28   VALTRPLEUILEASNILEGLYHISPHEASN
29   ASPPROVALHISGLYGLYSERTRPILEARG
30   GLYALAILETYRTYRPHELYSILEALAVAL
31   ALALEUALAVALALAALAILEPROGLUGLY
32   LEUPROALAVALILETHRTHRCYSLEUALA
33   LEUGLYTHRARGARGMETALALYSLYSASN
34   ALAILEVALARGSERLEUPROSERVALGLU
35   THRLEUGLYCYSTHRSERVALILECYSSER
36   ASPLYSTHRGLYTHRLEUTHRTHRASNGLN
37   METSERVALCYSLYSMETPHEILEILEASP
38   LYSVALASPGLYASPPHECYSSERLEUASN
39   GLUPHESERILETHRGLYSERTHRTYRALA
40   PROGLUGLYGLUVALLEULYSASNASPLYS
41   PROILEARGSERGLYGLNPHEASPGLYLEU
42   VALGLULEUALATHRILECYSALALEUCYS
43   ASNASPSERSERLEUASPPHEASNGLUTHR
44   LYSGLYVALTYRGLULYSVALGLYGLUALA
45   THRGLUTHRALALEUTHRTHRLEUVALGLU
46   LYSMETASNVALPHEASNTHRGLUVALARG
47   ASNLEUSERLYSVALGLUARGALAASNALA
48   CYSASNSERVALILEARGGLNLEUMETLYS
49   LYSGLUPHETHRLEUGLUPHESERARGASP
50   ARGLYSSERMETSERVALTYRCYSSERPRO
51   ALALYSSERSERARGALAALAVALGLYASN
52   LYSMETPHEVALLYSGLYALAPROGLUGLY
53   VALILEASPARGCYSASNTYRVALARGVAL
54   GLYTHRTHRARGVALPROMETTHRGLYPRO
55   VALLYSGLULYSILELEUSERVALILELYS
56   GLUTRPGLYTHRGLYARGASPTHRLEUARG
57   CYSLEUALALEUALATHRARGASPTHRPRO
58   PROLYSARGGLUGLUMETVALLEUASPASP
59   SERSERARGPHEMETGLUTYRGLUTHRASP
60   LEUTHRPHEVALGLYVALVALGLYMETLEU
61   ASPPROPROARGLYSGLUVALMETGLYSER
62   ILEGLNLEUCYSARGASPALAGLYILEARG
63   VALILEMETILETHRGLYASPASNLYSGLY
64   THRALAILEALAILECYSARGARGILEGLY
65   ILEPHEGLYGLUASNGLUGLUVALALAASP
66   ARGALATYRTHRGLYARGGLUPHEASPASP
67   LEUPROLEUALAGLUGLNARGGLUALACYS
68   ARGARGALACYSCYSPHEALAARGVALGLU
69   PROSERHISLYSSERLYSILEVALGLUTYR
70   LEUGLNSERTYRASPGLUILETHRALAMET
71   THRGLYASPGLYVALASNASPALAPROALA
72   LEULYSLYSALAGLUILEGLYILEALAMET
73   GLYSERGLYTHRALAVALALALYSTHRALA
74   SERGLUMETVALLEUALAASPASPASNPHE
75   SERTHRILEVALALAALAVALGLUGLUGLY
76   ARGALAILETYRASNASNMETLYSGLNPHE
77   ILEARGTYRLEUILESERSERASNVALGLY
78   GLUVALVALCYSILEPHELEUTHRALAALA
79   LEUGLYLEUPROGLUALALEUILEPROVAL
80   GLNLEULEUTRPVALASNLEUVALTHRASP
81   GLYLEUPROALATHRALALEUGLYPHEASN
82   PROPROASPLEUASPILEMETASPARGPRO
83   PROARGSERPROLYSGLUPROLEUILESER
84   GLYTRPLEUPHEPHEARGTYRMETALAILE
85   GLYGLYTYRVALGLYALAALATHRVALGLY
86   ALAALAALATRPTRPPHEMETTYRALAGLU
87   ASPGLYPROGLYVALTHRTYRHISGLNLEU
88   THRHISPHEMETGLNCYSTHRGLUASPHIS
89   PROHISPHEGLUGLYLEUASPCYSGLUILE
90   PHEGLUALAPROGLUPROMETTHRMETALA
91   LEUSERVALLEUVALTHRILEGLUMETCYS
92   ASNALALEUASNSERLEUSERGLUASNGLN
93   SERLEUMETARGMETPROPROTRPVALASN
94   ILETRPLEULEUGLYSERILECYSLEUSER
95   METSERLEUHISPHELEUILELEUTYRVAL
96   ASPPROLEUPROMETILEPHELYSLEULYS
97   ALALEUASPLEUTHRGLNTRPLEUMETVAL
98   LEULYSILESERLEUPROVALILEGLYLEU
99   ASPGLUILELEULYSPHEILEALAARGASN
100   TYRLEUGLUASPPROGLUASPGLUARGARG
101   LYS

Entity 3, CA, ion - Ca - 40.078 Da.

1   CA

Samples:

sample_1: Phospholamban (PLN-AFA), [U-15N], 0.21 mM; HEPES 20 mM; potassium chloride 100 mM; sodium azide 1 mM; glycerol 2.5%; 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) 340 mM; 1-palmitoyl-2-oleoyl-glycero-3-phosphocholine (POPC) 85 mM; 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC) 106 mM; 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (PE-DTPA) 6.4 mM; Ytterbium(III) chloride 5 mM; Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (SERCA1a) 0.23 mM; DTT 2 mM; magnesium chloride 5 mM; calcium Chloride 5 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298.15 K

Experiments:

NameSampleSample stateSample conditions
2D NH SLFsample_1anisotropicsample_conditions_1

Software:

NMRPipe - processing

VNMRj - collection

NMRFAM-SPARKY - data analysis

NMR spectrometers:

  • Varian VXRS 700 MHz

Related Database Links:

UNP P61015 P04191
PDB
AlphaFold P20006 P11719