BMRB Entry 11074
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR11074
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NMR-STAR v3 text file.
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Citation: Kobayashi, Masumi; Akutsu, Hideo; Suzuki, Toshiharu; Yoshida, Masasuke; Yagi, Hiromasa. "Analysis of the open and closed conformations of the beta subunits in thermophilic F1-ATPase by solution NMR." J. Mol. Biol. 398, 189-199 (2010).
PubMed: 20230835
Assembly members:
F1 ATPase beta subunit, polymer, 473 residues, Formula weight is not available
F1 ATPase alpha subunit, polymer, 502 residues, Formula weight is not available
F1 ATPase gamma subunit, polymer, 282 residues, Formula weight is not available
F1 ATPase epsilon subunit, polymer, 90 residues, Formula weight is not available
Natural source: Common Name: Bacillus PS3 Taxonomy ID: 2334 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus sp. PS3
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21
Entity Sequences (FASTA):
F1 ATPase beta subunit: MTRGRVIQVMGPVVDVKFEN
GHLPAIYNALKIQHKARNEN
EVDIDLTLEVALHLGDDTVR
TIAMASTDGLIRGMEVIDTG
APISVPVGQVTLGRVFNVLG
EPIDLEGDIPADARRDPIHR
PAPKFEELATEVEILETGIK
VVDLLAPYIKGGKIGLFGGA
GVGKTVLIQELIHNIAQEHG
GISVFAGVGERTREGNDLYH
EMKDSGVISKTAMVFGQMNE
PPGARMRVALTGLTMAEYFR
DEQGQDGLLFIDNIFRFTQA
GSEVSALLGRMPSAIGYQPT
LATEMGQLQERITSTAKGSI
TSIQAIYVPADDYTDPAPAT
TFSHLDATTNLERKLAEMGI
YPAVDPLVSTSRALAPEIVG
EEHYQVARKVQQTLERYKEL
QDIIAILGMDELSDEDKLVV
HRARRIQFFLSQNFHVAEQF
TGQPGSYVPVKETVRGFKEI
LEGKYDHLPEDAFRLVGRIE
EVVEKAKAMGVEV
F1 ATPase alpha subunit: MSIRAEEISALIKQQIENYE
SQIQVSDVGTVIQVGDGIAR
AHGLDNVMSGEAVEFANAVM
GMALNLEENNVGIVILGPYT
GIKEGDEVRRTGRIMEVPVG
ETLIGRVVNPLGQPVDGLGP
VETTETRPIESRAPGVMDRR
SVHEPLQTGIKAIDALVPIG
RGQRELIIGDRQTGKTSVAI
DTIINQKDQNMICIYVAIGQ
KESTVATVVETLAKHGAPDY
TIVVTASASQPAPLLFLAPY
AGVAMGEYFMIMGKHVLVVI
DDLSKQAAAYRQLSLLLRRP
PGREAYPGDIFYLHSRLLER
AAKLSDAKGGGSLTALPFVE
TQAGDISAYIPTNVISITDG
QIFLQSDLFFSGVRPAINAG
LSVSRVGGAAQIKAMKKVAG
TLRLDLAAYRELEAFAQFGS
DLDKATQANVARGARTVEVL
KQDLHQPIPVEKQVLIIYAL
TRGFLDDIPVEDVRRFEKEF
YLWLDQNGQHLLEHIRTTKD
LPNEDDLNQAIEAFKKTFVV
SQ
F1 ATPase gamma subunit: ASLRDIKTRINATKKTSQIT
KAMEMVLTSKLNRAEKREIV
RPYMEKIQEVVANVALAARA
SHPMLVSRPVKKTGYLVITS
DRGLAGAYNSNVLRLVYQTI
QKRHASPDEYAIIVIGRVGL
SFFRKRNMPVILDITRLPDQ
PSFADIKEIARKTVGLFADG
TFDELYMYYNHYVSAIQQEV
TERKLLPLTDLAENKQRTVY
EFEPSQEEILDVLLPQYAES
LIYGALLDAKASEHAARMTA
MKNATDNANELIRTLTLSYN
RARQAAITQEITEIVAGANA
LQ
F1 ATPase epsilon subunit: MKTIHVSVVTPDGPVYEDDV
EMVSVKAKSGELGILPGHIP
LVAPLEISAARLKKGGKTQY
IAVSGGFLEVRPDNVTILAQ
AAERAEDIDV
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 74 |
| 1H chemical shifts | 74 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | F1 ATPase beta subunit 1 | 1 |
| 2 | F1 ATPase beta subunit 2 | 1 |
| 3 | F1 ATPase beta subunit 3 | 1 |
| 4 | F1 ATPase alpha subunit 1 | 2 |
| 5 | F1 ATPase alpha subunit 2 | 2 |
| 6 | F1 ATPase alpha subunit 3 | 2 |
| 7 | F1 ATPase gamma subunit | 3 |
| 8 | F1 ATPase epsilon subunit | 4 |
Entities:
Entity 1, F1 ATPase beta subunit 1 473 residues - Formula weight is not available
| 1 | MET | THR | ARG | GLY | ARG | VAL | ILE | GLN | VAL | MET | ||||
| 2 | GLY | PRO | VAL | VAL | ASP | VAL | LYS | PHE | GLU | ASN | ||||
| 3 | GLY | HIS | LEU | PRO | ALA | ILE | TYR | ASN | ALA | LEU | ||||
| 4 | LYS | ILE | GLN | HIS | LYS | ALA | ARG | ASN | GLU | ASN | ||||
| 5 | GLU | VAL | ASP | ILE | ASP | LEU | THR | LEU | GLU | VAL | ||||
| 6 | ALA | LEU | HIS | LEU | GLY | ASP | ASP | THR | VAL | ARG | ||||
| 7 | THR | ILE | ALA | MET | ALA | SER | THR | ASP | GLY | LEU | ||||
| 8 | ILE | ARG | GLY | MET | GLU | VAL | ILE | ASP | THR | GLY | ||||
| 9 | ALA | PRO | ILE | SER | VAL | PRO | VAL | GLY | GLN | VAL | ||||
| 10 | THR | LEU | GLY | ARG | VAL | PHE | ASN | VAL | LEU | GLY | ||||
| 11 | GLU | PRO | ILE | ASP | LEU | GLU | GLY | ASP | ILE | PRO | ||||
| 12 | ALA | ASP | ALA | ARG | ARG | ASP | PRO | ILE | HIS | ARG | ||||
| 13 | PRO | ALA | PRO | LYS | PHE | GLU | GLU | LEU | ALA | THR | ||||
| 14 | GLU | VAL | GLU | ILE | LEU | GLU | THR | GLY | ILE | LYS | ||||
| 15 | VAL | VAL | ASP | LEU | LEU | ALA | PRO | TYR | ILE | LYS | ||||
| 16 | GLY | GLY | LYS | ILE | GLY | LEU | PHE | GLY | GLY | ALA | ||||
| 17 | GLY | VAL | GLY | LYS | THR | VAL | LEU | ILE | GLN | GLU | ||||
| 18 | LEU | ILE | HIS | ASN | ILE | ALA | GLN | GLU | HIS | GLY | ||||
| 19 | GLY | ILE | SER | VAL | PHE | ALA | GLY | VAL | GLY | GLU | ||||
| 20 | ARG | THR | ARG | GLU | GLY | ASN | ASP | LEU | TYR | HIS | ||||
| 21 | GLU | MET | LYS | ASP | SER | GLY | VAL | ILE | SER | LYS | ||||
| 22 | THR | ALA | MET | VAL | PHE | GLY | GLN | MET | ASN | GLU | ||||
| 23 | PRO | PRO | GLY | ALA | ARG | MET | ARG | VAL | ALA | LEU | ||||
| 24 | THR | GLY | LEU | THR | MET | ALA | GLU | TYR | PHE | ARG | ||||
| 25 | ASP | GLU | GLN | GLY | GLN | ASP | GLY | LEU | LEU | PHE | ||||
| 26 | ILE | ASP | ASN | ILE | PHE | ARG | PHE | THR | GLN | ALA | ||||
| 27 | GLY | SER | GLU | VAL | SER | ALA | LEU | LEU | GLY | ARG | ||||
| 28 | MET | PRO | SER | ALA | ILE | GLY | TYR | GLN | PRO | THR | ||||
| 29 | LEU | ALA | THR | GLU | MET | GLY | GLN | LEU | GLN | GLU | ||||
| 30 | ARG | ILE | THR | SER | THR | ALA | LYS | GLY | SER | ILE | ||||
| 31 | THR | SER | ILE | GLN | ALA | ILE | TYR | VAL | PRO | ALA | ||||
| 32 | ASP | ASP | TYR | THR | ASP | PRO | ALA | PRO | ALA | THR | ||||
| 33 | THR | PHE | SER | HIS | LEU | ASP | ALA | THR | THR | ASN | ||||
| 34 | LEU | GLU | ARG | LYS | LEU | ALA | GLU | MET | GLY | ILE | ||||
| 35 | TYR | PRO | ALA | VAL | ASP | PRO | LEU | VAL | SER | THR | ||||
| 36 | SER | ARG | ALA | LEU | ALA | PRO | GLU | ILE | VAL | GLY | ||||
| 37 | GLU | GLU | HIS | TYR | GLN | VAL | ALA | ARG | LYS | VAL | ||||
| 38 | GLN | GLN | THR | LEU | GLU | ARG | TYR | LYS | GLU | LEU | ||||
| 39 | GLN | ASP | ILE | ILE | ALA | ILE | LEU | GLY | MET | ASP | ||||
| 40 | GLU | LEU | SER | ASP | GLU | ASP | LYS | LEU | VAL | VAL | ||||
| 41 | HIS | ARG | ALA | ARG | ARG | ILE | GLN | PHE | PHE | LEU | ||||
| 42 | SER | GLN | ASN | PHE | HIS | VAL | ALA | GLU | GLN | PHE | ||||
| 43 | THR | GLY | GLN | PRO | GLY | SER | TYR | VAL | PRO | VAL | ||||
| 44 | LYS | GLU | THR | VAL | ARG | GLY | PHE | LYS | GLU | ILE | ||||
| 45 | LEU | GLU | GLY | LYS | TYR | ASP | HIS | LEU | PRO | GLU | ||||
| 46 | ASP | ALA | PHE | ARG | LEU | VAL | GLY | ARG | ILE | GLU | ||||
| 47 | GLU | VAL | VAL | GLU | LYS | ALA | LYS | ALA | MET | GLY | ||||
| 48 | VAL | GLU | VAL |
Entity 2, F1 ATPase alpha subunit 1 502 residues - Formula weight is not available
| 1 | MET | SER | ILE | ARG | ALA | GLU | GLU | ILE | SER | ALA | ||||
| 2 | LEU | ILE | LYS | GLN | GLN | ILE | GLU | ASN | TYR | GLU | ||||
| 3 | SER | GLN | ILE | GLN | VAL | SER | ASP | VAL | GLY | THR | ||||
| 4 | VAL | ILE | GLN | VAL | GLY | ASP | GLY | ILE | ALA | ARG | ||||
| 5 | ALA | HIS | GLY | LEU | ASP | ASN | VAL | MET | SER | GLY | ||||
| 6 | GLU | ALA | VAL | GLU | PHE | ALA | ASN | ALA | VAL | MET | ||||
| 7 | GLY | MET | ALA | LEU | ASN | LEU | GLU | GLU | ASN | ASN | ||||
| 8 | VAL | GLY | ILE | VAL | ILE | LEU | GLY | PRO | TYR | THR | ||||
| 9 | GLY | ILE | LYS | GLU | GLY | ASP | GLU | VAL | ARG | ARG | ||||
| 10 | THR | GLY | ARG | ILE | MET | GLU | VAL | PRO | VAL | GLY | ||||
| 11 | GLU | THR | LEU | ILE | GLY | ARG | VAL | VAL | ASN | PRO | ||||
| 12 | LEU | GLY | GLN | PRO | VAL | ASP | GLY | LEU | GLY | PRO | ||||
| 13 | VAL | GLU | THR | THR | GLU | THR | ARG | PRO | ILE | GLU | ||||
| 14 | SER | ARG | ALA | PRO | GLY | VAL | MET | ASP | ARG | ARG | ||||
| 15 | SER | VAL | HIS | GLU | PRO | LEU | GLN | THR | GLY | ILE | ||||
| 16 | LYS | ALA | ILE | ASP | ALA | LEU | VAL | PRO | ILE | GLY | ||||
| 17 | ARG | GLY | GLN | ARG | GLU | LEU | ILE | ILE | GLY | ASP | ||||
| 18 | ARG | GLN | THR | GLY | LYS | THR | SER | VAL | ALA | ILE | ||||
| 19 | ASP | THR | ILE | ILE | ASN | GLN | LYS | ASP | GLN | ASN | ||||
| 20 | MET | ILE | CYS | ILE | TYR | VAL | ALA | ILE | GLY | GLN | ||||
| 21 | LYS | GLU | SER | THR | VAL | ALA | THR | VAL | VAL | GLU | ||||
| 22 | THR | LEU | ALA | LYS | HIS | GLY | ALA | PRO | ASP | TYR | ||||
| 23 | THR | ILE | VAL | VAL | THR | ALA | SER | ALA | SER | GLN | ||||
| 24 | PRO | ALA | PRO | LEU | LEU | PHE | LEU | ALA | PRO | TYR | ||||
| 25 | ALA | GLY | VAL | ALA | MET | GLY | GLU | TYR | PHE | MET | ||||
| 26 | ILE | MET | GLY | LYS | HIS | VAL | LEU | VAL | VAL | ILE | ||||
| 27 | ASP | ASP | LEU | SER | LYS | GLN | ALA | ALA | ALA | TYR | ||||
| 28 | ARG | GLN | LEU | SER | LEU | LEU | LEU | ARG | ARG | PRO | ||||
| 29 | PRO | GLY | ARG | GLU | ALA | TYR | PRO | GLY | ASP | ILE | ||||
| 30 | PHE | TYR | LEU | HIS | SER | ARG | LEU | LEU | GLU | ARG | ||||
| 31 | ALA | ALA | LYS | LEU | SER | ASP | ALA | LYS | GLY | GLY | ||||
| 32 | GLY | SER | LEU | THR | ALA | LEU | PRO | PHE | VAL | GLU | ||||
| 33 | THR | GLN | ALA | GLY | ASP | ILE | SER | ALA | TYR | ILE | ||||
| 34 | PRO | THR | ASN | VAL | ILE | SER | ILE | THR | ASP | GLY | ||||
| 35 | GLN | ILE | PHE | LEU | GLN | SER | ASP | LEU | PHE | PHE | ||||
| 36 | SER | GLY | VAL | ARG | PRO | ALA | ILE | ASN | ALA | GLY | ||||
| 37 | LEU | SER | VAL | SER | ARG | VAL | GLY | GLY | ALA | ALA | ||||
| 38 | GLN | ILE | LYS | ALA | MET | LYS | LYS | VAL | ALA | GLY | ||||
| 39 | THR | LEU | ARG | LEU | ASP | LEU | ALA | ALA | TYR | ARG | ||||
| 40 | GLU | LEU | GLU | ALA | PHE | ALA | GLN | PHE | GLY | SER | ||||
| 41 | ASP | LEU | ASP | LYS | ALA | THR | GLN | ALA | ASN | VAL | ||||
| 42 | ALA | ARG | GLY | ALA | ARG | THR | VAL | GLU | VAL | LEU | ||||
| 43 | LYS | GLN | ASP | LEU | HIS | GLN | PRO | ILE | PRO | VAL | ||||
| 44 | GLU | LYS | GLN | VAL | LEU | ILE | ILE | TYR | ALA | LEU | ||||
| 45 | THR | ARG | GLY | PHE | LEU | ASP | ASP | ILE | PRO | VAL | ||||
| 46 | GLU | ASP | VAL | ARG | ARG | PHE | GLU | LYS | GLU | PHE | ||||
| 47 | TYR | LEU | TRP | LEU | ASP | GLN | ASN | GLY | GLN | HIS | ||||
| 48 | LEU | LEU | GLU | HIS | ILE | ARG | THR | THR | LYS | ASP | ||||
| 49 | LEU | PRO | ASN | GLU | ASP | ASP | LEU | ASN | GLN | ALA | ||||
| 50 | ILE | GLU | ALA | PHE | LYS | LYS | THR | PHE | VAL | VAL | ||||
| 51 | SER | GLN |
Entity 3, F1 ATPase gamma subunit 282 residues - Formula weight is not available
| 1 | ALA | SER | LEU | ARG | ASP | ILE | LYS | THR | ARG | ILE | ||||
| 2 | ASN | ALA | THR | LYS | LYS | THR | SER | GLN | ILE | THR | ||||
| 3 | LYS | ALA | MET | GLU | MET | VAL | LEU | THR | SER | LYS | ||||
| 4 | LEU | ASN | ARG | ALA | GLU | LYS | ARG | GLU | ILE | VAL | ||||
| 5 | ARG | PRO | TYR | MET | GLU | LYS | ILE | GLN | GLU | VAL | ||||
| 6 | VAL | ALA | ASN | VAL | ALA | LEU | ALA | ALA | ARG | ALA | ||||
| 7 | SER | HIS | PRO | MET | LEU | VAL | SER | ARG | PRO | VAL | ||||
| 8 | LYS | LYS | THR | GLY | TYR | LEU | VAL | ILE | THR | SER | ||||
| 9 | ASP | ARG | GLY | LEU | ALA | GLY | ALA | TYR | ASN | SER | ||||
| 10 | ASN | VAL | LEU | ARG | LEU | VAL | TYR | GLN | THR | ILE | ||||
| 11 | GLN | LYS | ARG | HIS | ALA | SER | PRO | ASP | GLU | TYR | ||||
| 12 | ALA | ILE | ILE | VAL | ILE | GLY | ARG | VAL | GLY | LEU | ||||
| 13 | SER | PHE | PHE | ARG | LYS | ARG | ASN | MET | PRO | VAL | ||||
| 14 | ILE | LEU | ASP | ILE | THR | ARG | LEU | PRO | ASP | GLN | ||||
| 15 | PRO | SER | PHE | ALA | ASP | ILE | LYS | GLU | ILE | ALA | ||||
| 16 | ARG | LYS | THR | VAL | GLY | LEU | PHE | ALA | ASP | GLY | ||||
| 17 | THR | PHE | ASP | GLU | LEU | TYR | MET | TYR | TYR | ASN | ||||
| 18 | HIS | TYR | VAL | SER | ALA | ILE | GLN | GLN | GLU | VAL | ||||
| 19 | THR | GLU | ARG | LYS | LEU | LEU | PRO | LEU | THR | ASP | ||||
| 20 | LEU | ALA | GLU | ASN | LYS | GLN | ARG | THR | VAL | TYR | ||||
| 21 | GLU | PHE | GLU | PRO | SER | GLN | GLU | GLU | ILE | LEU | ||||
| 22 | ASP | VAL | LEU | LEU | PRO | GLN | TYR | ALA | GLU | SER | ||||
| 23 | LEU | ILE | TYR | GLY | ALA | LEU | LEU | ASP | ALA | LYS | ||||
| 24 | ALA | SER | GLU | HIS | ALA | ALA | ARG | MET | THR | ALA | ||||
| 25 | MET | LYS | ASN | ALA | THR | ASP | ASN | ALA | ASN | GLU | ||||
| 26 | LEU | ILE | ARG | THR | LEU | THR | LEU | SER | TYR | ASN | ||||
| 27 | ARG | ALA | ARG | GLN | ALA | ALA | ILE | THR | GLN | GLU | ||||
| 28 | ILE | THR | GLU | ILE | VAL | ALA | GLY | ALA | ASN | ALA | ||||
| 29 | LEU | GLN |
Entity 4, F1 ATPase epsilon subunit 90 residues - Formula weight is not available
| 1 | MET | LYS | THR | ILE | HIS | VAL | SER | VAL | VAL | THR | |
| 2 | PRO | ASP | GLY | PRO | VAL | TYR | GLU | ASP | ASP | VAL | |
| 3 | GLU | MET | VAL | SER | VAL | LYS | ALA | LYS | SER | GLY | |
| 4 | GLU | LEU | GLY | ILE | LEU | PRO | GLY | HIS | ILE | PRO | |
| 5 | LEU | VAL | ALA | PRO | LEU | GLU | ILE | SER | ALA | ALA | |
| 6 | ARG | LEU | LYS | LYS | GLY | GLY | LYS | THR | GLN | TYR | |
| 7 | ILE | ALA | VAL | SER | GLY | GLY | PHE | LEU | GLU | VAL | |
| 8 | ARG | PRO | ASP | ASN | VAL | THR | ILE | LEU | ALA | GLN | |
| 9 | ALA | ALA | GLU | ARG | ALA | GLU | ASP | ILE | ASP | VAL |
Samples:
sample_1: F1 ATPase beta subunit, [U-100% 13C; U-100% 15N; U-80% 2H], 0.1 mM; F1 ATPase alpha subunit 0.1 mM; F1 ATPase gamma subunit 0.03 mM; F1 ATPase epsilon subunit 0.03 mM; Na2SO4 100 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.1 M; pH: 8.0; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N CRINEPT HMQC TROSY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker DRX 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAA00066 BAA07248 BAA07255 BAD77643 BAS29591 BAD77645 GAD12921 GAJ57179 BAA07249 BAA07256 BAA96810 BAD77642 GAD12924 |
| EMBL | CAA28277 CAA30655 CAA30652 CAA30653 CAA30654 CAA27607 CAA30656 |
| GB | AAF64075 ABO68643 ACX79963 ADI28256 ADP76323 ACX79965 ADI28258 ADU95793 AEV21073 AGE23945 ACX79962 ADI28255 ADU95790 AEV21070 AGE23942 |
| PIR | A25504 S01401 S01402 S02256 |
| PRF | 1211283A |
| REF | WP_003253633 WP_008880693 WP_011232825 WP_020961504 WP_025039365 WP_011232827 WP_015376060 WP_025949611 YP_003254447 YP_003672835 WP_011232824 WP_015376059 WP_033010830 WP_033017484 WP_033020486 |
| SP | A4ITI9 P07677 P41009 P42006 Q5KUJ3 P09219 Q5KUJ1 P09222 P07678 P41012 P42009 Q5KUJ4 |
| AlphaFold | Q5KUJ3 A4ITI9 P07677 P41009 P42006 P09219 Q5KUJ1 P09222 P07678 Q5KUJ4 P42009 P41012 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks