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PDB ID: 2leg
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/BMR17710
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; Sperling, Lindsay; Berthold, Deborah; Schwieters, Charles; Nesbitt, Anna; Nieuwkoop, Andrew; Gennis, Robert; Rienstra, Chad. "High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data." J. Biomol. NMR 51, 227-233 (2011).
PubMed: 21938394
Assembly members:
DsbA, polymer, 188 residues, 20993.951 Da.
DsbB, polymer, 176 residues, 15287.664 Da.
ZN, non-polymer, 65.409 Da.
UQ8, non-polymer, 727.109 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):
DsbA: AQYEDGKQYTTLEKPVAGAP
QVLEFFSFFCPHCYQFEEVL
HISDNVKKKLPEGVKMTKYH
VNFMGGDLGKDLTQAWAVAM
ALGVEDKVTVPLFEGVQKTQ
TIRSASDIRDVFINAGIKGE
EYDAAWNSFVVKSLVAQQEK
AAADVQLRGVPAMFVNGKYQ
LNPQGMDTSNMDVFVQQYAD
TVKYLSEK
DsbB: MLRFLNQASQGRGAWLLMAF
TALALELTALWFQHVMLLKP
SVLCIYERVALFGVLGAALI
GAIAPKTPLRYVAMVIWLYS
AFRGVQLTYEHTMLQLYPSP
FATCDFMVRFPEWLPLDKWV
PQVFVASGDCAERQWDFLGL
EMPQWLLGIFIAYLIVAVLV
VISQPFKAKKRDLFGR
Data type | Count |
13C chemical shifts | 1228 |
15N chemical shifts | 288 |
1H chemical shifts | 67 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | DsbA | 1 |
2 | DsbB | 2 |
3 | ZINC ION | 3 |
4 | UBIQUINONE-1 | 4 |
Entity 1, DsbA 188 residues - 20993.951 Da.
1 | ALA | GLN | TYR | GLU | ASP | GLY | LYS | GLN | TYR | THR | ||||
2 | THR | LEU | GLU | LYS | PRO | VAL | ALA | GLY | ALA | PRO | ||||
3 | GLN | VAL | LEU | GLU | PHE | PHE | SER | PHE | PHE | CYS | ||||
4 | PRO | HIS | CYS | TYR | GLN | PHE | GLU | GLU | VAL | LEU | ||||
5 | HIS | ILE | SER | ASP | ASN | VAL | LYS | LYS | LYS | LEU | ||||
6 | PRO | GLU | GLY | VAL | LYS | MET | THR | LYS | TYR | HIS | ||||
7 | VAL | ASN | PHE | MET | GLY | GLY | ASP | LEU | GLY | LYS | ||||
8 | ASP | LEU | THR | GLN | ALA | TRP | ALA | VAL | ALA | MET | ||||
9 | ALA | LEU | GLY | VAL | GLU | ASP | LYS | VAL | THR | VAL | ||||
10 | PRO | LEU | PHE | GLU | GLY | VAL | GLN | LYS | THR | GLN | ||||
11 | THR | ILE | ARG | SER | ALA | SER | ASP | ILE | ARG | ASP | ||||
12 | VAL | PHE | ILE | ASN | ALA | GLY | ILE | LYS | GLY | GLU | ||||
13 | GLU | TYR | ASP | ALA | ALA | TRP | ASN | SER | PHE | VAL | ||||
14 | VAL | LYS | SER | LEU | VAL | ALA | GLN | GLN | GLU | LYS | ||||
15 | ALA | ALA | ALA | ASP | VAL | GLN | LEU | ARG | GLY | VAL | ||||
16 | PRO | ALA | MET | PHE | VAL | ASN | GLY | LYS | TYR | GLN | ||||
17 | LEU | ASN | PRO | GLN | GLY | MET | ASP | THR | SER | ASN | ||||
18 | MET | ASP | VAL | PHE | VAL | GLN | GLN | TYR | ALA | ASP | ||||
19 | THR | VAL | LYS | TYR | LEU | SER | GLU | LYS |
Entity 2, DsbB 176 residues - 15287.664 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 3, ZINC ION - Zn - 65.409 Da.
1 | ZN |
Entity 4, UBIQUINONE-1 - C49 H74 O4 - 727.109 Da.
1 | UQ8 |
BMRB | 16327 18396 18543 18544 15546 15966 18395 18493 18544 |
PDB | 1A23 1A24 1A2J 1A2L 1A2M 1AC1 1ACV 1BQ7 1DSB 1FVJ 1FVK 1TI1 1U3A 2B3S 2B6M 2HI7 2LEG 2ZUP 3DKS 3E9J 4TKY 4WET 4WEY 4WF4 4WF5 2K73 2K74 2LTQ 2ZUQ |
DBJ | BAB38206 BAE77448 BAG79665 BAI27892 BAI33015 BAA36032 BAB35103 BAG76757 BAI24997 BAI30121 |
EMBL | CAA44868 CAA56736 CAA90910 CAP78318 CAQ34212 CAP75720 CAQ31687 CAQ98064 CAR02574 CAR12682 |
GB | AAA23715 AAB02995 AAC43519 AAC43520 AAC43521 AAA23711 AAB25233 AAC74269 AAG56036 AAN42789 |
REF | NP_312810 NP_418297 NP_709659 WP_000725331 WP_000725332 NP_287424 NP_309707 NP_415703 NP_707082 NP_753538 |
SP | P0A4L5 P0A4L6 P0AEG4 P0AEG5 P52235 A1AAA8 P0A6M2 P0A6M3 P59343 Q0T5L6 |
PIR | H85696 |
AlphaFold | P0A4L5 P0A4L6 P0AEG4 P0AEG5 P52235 A1AAA8 P0A6M2 P0A6M3 P59343 Q0T5L6 |
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