BMRB Entry 18493
Click here to enlarge.
PDB ID: 2ltq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18493
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Tang, Ming; Nesbitt, Anna; Sperling, Lindsay; Berthold, Deborah; Schwieters, Charles; Gennis, Robert; Rienstra, Chad. "Structure of the disulfide bond generating membrane protein DsbB in the lipid bilayer." J. Mol. Biol. 425, 1670-1682 (2013).
PubMed: 23416557
Assembly members:
DsbB, polymer, 176 residues, 16663.053 Da.
entity_2, polymer, 239 residues, 24077.834 Da.
entity_3, polymer, 221 residues, 23024.885 Da.
entity_UQ1, non-polymer, 250.290 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pqe70
Entity Sequences (FASTA):
DsbB: MLRFLNQASQGRGAWLLMAF
TALALELTALWFQHVMLLKP
SVLCIYERVALFGVLGAALI
GAIAPKTPLRYVAMVIWLYS
AFRGVQLTYEHTMLQLYPSP
FATCDFMVRFPEWLPLDKWV
PQVFVASGDCAERQWDFLGL
EMPQWLLGIFIAYLIVAVLV
VISQPFKAKKRDLFGR
entity_2: MDSQAQVLILLLLWVSGTCG
DIVMSQSPSSLAVSAGEKVT
MSCKSSQSLLNSRTRKNYLA
WYQQKPGQSPKLLIYWASTR
ESGVPDRFTGSGSGTDFTLT
ISSVQAEDLAVYYCKQSYNL
YTFGGGTKLEIKRADAAPTV
SIFPPSSEQLTSGGASVVCF
LNNFYPKDINVKWKIDGSER
QNGVLNSWTDQDSKDSTYSM
SSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNRNEC
entity_3: EVQLVESGGGLVKPGGSLKL
SCAASGFAFSSYDMSWVRQT
PEKRLEWVAYISSGGGSTYY
PDTVKGRFTISRDNAKNTLY
LQMSSLKSEDTAMYYCARPD
YRSYAMDYWGQGTSVTVSSA
KTTAPSVYPLAPVCGDTTGS
SVTLGCLVKGYFPEPVTLTW
NSGSLSSGVHTFPAVLQSDL
YTLSSSVTVTSSTWPSQSIT
CNVAHPASSTKVDKKIEPRG
P
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 552 |
| 15N chemical shifts | 125 |
| 1H chemical shifts | 67 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DsbB_1 | 1 |
| 2 | entity_2_1 | 2 |
| 3 | entity_3_1 | 3 |
| 4 | DsbB_2 | 1 |
| 5 | entity_2_2 | 2 |
| 6 | entity_3_2 | 3 |
| 7 | UBIQUINONE-1_1 | 4 |
| 8 | UBIQUINONE-1_2 | 4 |
Entities:
Entity 1, DsbB_1 176 residues - 16663.053 Da.
| 1 | MET | LEU | ARG | PHE | LEU | ASN | GLN | ALA | SER | GLN | ||||
| 2 | GLY | ARG | GLY | ALA | TRP | LEU | LEU | MET | ALA | PHE | ||||
| 3 | THR | ALA | LEU | ALA | LEU | GLU | LEU | THR | ALA | LEU | ||||
| 4 | TRP | PHE | GLN | HIS | VAL | MET | LEU | LEU | LYS | PRO | ||||
| 5 | SER | VAL | LEU | CYS | ILE | TYR | GLU | ARG | VAL | ALA | ||||
| 6 | LEU | PHE | GLY | VAL | LEU | GLY | ALA | ALA | LEU | ILE | ||||
| 7 | GLY | ALA | ILE | ALA | PRO | LYS | THR | PRO | LEU | ARG | ||||
| 8 | TYR | VAL | ALA | MET | VAL | ILE | TRP | LEU | TYR | SER | ||||
| 9 | ALA | PHE | ARG | GLY | VAL | GLN | LEU | THR | TYR | GLU | ||||
| 10 | HIS | THR | MET | LEU | GLN | LEU | TYR | PRO | SER | PRO | ||||
| 11 | PHE | ALA | THR | CYS | ASP | PHE | MET | VAL | ARG | PHE | ||||
| 12 | PRO | GLU | TRP | LEU | PRO | LEU | ASP | LYS | TRP | VAL | ||||
| 13 | PRO | GLN | VAL | PHE | VAL | ALA | SER | GLY | ASP | CYS | ||||
| 14 | ALA | GLU | ARG | GLN | TRP | ASP | PHE | LEU | GLY | LEU | ||||
| 15 | GLU | MET | PRO | GLN | TRP | LEU | LEU | GLY | ILE | PHE | ||||
| 16 | ILE | ALA | TYR | LEU | ILE | VAL | ALA | VAL | LEU | VAL | ||||
| 17 | VAL | ILE | SER | GLN | PRO | PHE | LYS | ALA | LYS | LYS | ||||
| 18 | ARG | ASP | LEU | PHE | GLY | ARG |
Entity 2, entity_2_1 239 residues - 24077.834 Da.
| 1 | MET | ASP | SER | GLN | ALA | GLN | VAL | LEU | ILE | LEU | ||||
| 2 | LEU | LEU | LEU | TRP | VAL | SER | GLY | THR | CYS | GLY | ||||
| 3 | ASP | ILE | VAL | MET | SER | GLN | SER | PRO | SER | SER | ||||
| 4 | LEU | ALA | VAL | SER | ALA | GLY | GLU | LYS | VAL | THR | ||||
| 5 | MET | SER | CYS | LYS | SER | SER | GLN | SER | LEU | LEU | ||||
| 6 | ASN | SER | ARG | THR | ARG | LYS | ASN | TYR | LEU | ALA | ||||
| 7 | TRP | TYR | GLN | GLN | LYS | PRO | GLY | GLN | SER | PRO | ||||
| 8 | LYS | LEU | LEU | ILE | TYR | TRP | ALA | SER | THR | ARG | ||||
| 9 | GLU | SER | GLY | VAL | PRO | ASP | ARG | PHE | THR | GLY | ||||
| 10 | SER | GLY | SER | GLY | THR | ASP | PHE | THR | LEU | THR | ||||
| 11 | ILE | SER | SER | VAL | GLN | ALA | GLU | ASP | LEU | ALA | ||||
| 12 | VAL | TYR | TYR | CYS | LYS | GLN | SER | TYR | ASN | LEU | ||||
| 13 | TYR | THR | PHE | GLY | GLY | GLY | THR | LYS | LEU | GLU | ||||
| 14 | ILE | LYS | ARG | ALA | ASP | ALA | ALA | PRO | THR | VAL | ||||
| 15 | SER | ILE | PHE | PRO | PRO | SER | SER | GLU | GLN | LEU | ||||
| 16 | THR | SER | GLY | GLY | ALA | SER | VAL | VAL | CYS | PHE | ||||
| 17 | LEU | ASN | ASN | PHE | TYR | PRO | LYS | ASP | ILE | ASN | ||||
| 18 | VAL | LYS | TRP | LYS | ILE | ASP | GLY | SER | GLU | ARG | ||||
| 19 | GLN | ASN | GLY | VAL | LEU | ASN | SER | TRP | THR | ASP | ||||
| 20 | GLN | ASP | SER | LYS | ASP | SER | THR | TYR | SER | MET | ||||
| 21 | SER | SER | THR | LEU | THR | LEU | THR | LYS | ASP | GLU | ||||
| 22 | TYR | GLU | ARG | HIS | ASN | SER | TYR | THR | CYS | GLU | ||||
| 23 | ALA | THR | HIS | LYS | THR | SER | THR | SER | PRO | ILE | ||||
| 24 | VAL | LYS | SER | PHE | ASN | ARG | ASN | GLU | CYS |
Entity 3, entity_3_1 221 residues - 23024.885 Da.
| 1 | GLU | VAL | GLN | LEU | VAL | GLU | SER | GLY | GLY | GLY | ||||
| 2 | LEU | VAL | LYS | PRO | GLY | GLY | SER | LEU | LYS | LEU | ||||
| 3 | SER | CYS | ALA | ALA | SER | GLY | PHE | ALA | PHE | SER | ||||
| 4 | SER | TYR | ASP | MET | SER | TRP | VAL | ARG | GLN | THR | ||||
| 5 | PRO | GLU | LYS | ARG | LEU | GLU | TRP | VAL | ALA | TYR | ||||
| 6 | ILE | SER | SER | GLY | GLY | GLY | SER | THR | TYR | TYR | ||||
| 7 | PRO | ASP | THR | VAL | LYS | GLY | ARG | PHE | THR | ILE | ||||
| 8 | SER | ARG | ASP | ASN | ALA | LYS | ASN | THR | LEU | TYR | ||||
| 9 | LEU | GLN | MET | SER | SER | LEU | LYS | SER | GLU | ASP | ||||
| 10 | THR | ALA | MET | TYR | TYR | CYS | ALA | ARG | PRO | ASP | ||||
| 11 | TYR | ARG | SER | TYR | ALA | MET | ASP | TYR | TRP | GLY | ||||
| 12 | GLN | GLY | THR | SER | VAL | THR | VAL | SER | SER | ALA | ||||
| 13 | LYS | THR | THR | ALA | PRO | SER | VAL | TYR | PRO | LEU | ||||
| 14 | ALA | PRO | VAL | CYS | GLY | ASP | THR | THR | GLY | SER | ||||
| 15 | SER | VAL | THR | LEU | GLY | CYS | LEU | VAL | LYS | GLY | ||||
| 16 | TYR | PHE | PRO | GLU | PRO | VAL | THR | LEU | THR | TRP | ||||
| 17 | ASN | SER | GLY | SER | LEU | SER | SER | GLY | VAL | HIS | ||||
| 18 | THR | PHE | PRO | ALA | VAL | LEU | GLN | SER | ASP | LEU | ||||
| 19 | TYR | THR | LEU | SER | SER | SER | VAL | THR | VAL | THR | ||||
| 20 | SER | SER | THR | TRP | PRO | SER | GLN | SER | ILE | THR | ||||
| 21 | CYS | ASN | VAL | ALA | HIS | PRO | ALA | SER | SER | THR | ||||
| 22 | LYS | VAL | ASP | LYS | LYS | ILE | GLU | PRO | ARG | GLY | ||||
| 23 | PRO |
Entity 4, UBIQUINONE-1_1 - C14 H18 O4 - 250.290 Da.
| 1 | UQ1 |
Related Database Links:
| PDB | 2ZUQ 2HI7 2K73 2K74 2LEG 2LTQ 2ZUP 3E9J 1Q9K 1Q9L 1Q9O 1Q9W 2I9L 2R1W 2R1X 2R1Y 2R23 2R2B 2R2E 2R2H 3BPC 3HZK 3HZM 3HZV 3HZY 3I02 3IJH 3IJS 3IJY 3IKC 3KJ4 3SY0 3T4Y 3T65 3T77 4HGW |
| BMRB | 15546 15966 18395 |
| DBJ | BAA36032 BAB35103 BAG76757 BAI24997 BAI30121 |
| EMBL | CAP75720 CAQ31687 CAQ98064 CAR02574 CAR12682 CAA75918 |
| GB | AAA23711 AAB25233 AAC74269 AAG56036 AAN42789 AAA53292 AAB47613 AAL04472 AEB66102 EDK98900 AAN06761 |
| PIR | H85696 G33932 PS0023 |
| REF | NP_309707 NP_415703 NP_707082 WP_000652474 WP_000943442 |
| SP | A1AAA8 P0A6M2 P0A6M3 P59343 Q0T5L6 |
| AlphaFold | A1AAA8 P0A6M2 P0A6M3 P59343 Q0T5L6 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks