BMRB Entry 19730
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19730
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NMR-STAR v3 text file.
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Citation: Callon, Morgane; Burmann, Bjorn; Hiller, Sebastian. "Structural Mapping of a Chaperone-Substrate Interaction Surface." Angew. Chem. Int. Ed. Engl. ., .-. (2014).
PubMed: 24700611
Assembly members:
Escherichia_Coli_Skp, polymer, 162 residues, Formula weight is not available
Escherichia_Coli_tOmpA, polymer, 177 residues, Formula weight is not available
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: pET28b
Entity Sequences (FASTA):
Escherichia_Coli_Skp: MGSSHHHHHHSSGLVPRGSH
MADKIAIVNMGSLFQQVAQK
TGVSNTLENEFKGRASELQR
METDLQAKMKKLQSMKAGSD
RTKLEKDVMAQRQTFAQKAQ
AFEQDRARRSNEERGKLVTR
IQTAVKSVANSQDIDLVVDA
NAVAYNSSDVKDITADVLKQ
VK
Escherichia_Coli_tOmpA: MAPKDNTWYTGAKLGWSQYH
DTGFINNNGPTHENQLGAGA
FGGYQVNPYVGFEMGYDWLG
RMPYKGSVENGAYKAQGVQL
TAKLGYPITDDLDIYTRLGG
MVWRADTKSNVYGKNHDTGV
SPVFAGGVEYAITPEIATRL
EYQWTNNIGDAHTIGTRPDN
GMLSLGVSYRFGQGEAA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 13 |
| 1H chemical shifts | 39 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Skp, chain 1 | 1 |
| 2 | Skp, chain 2 | 1 |
| 3 | Skp, chain 3 | 1 |
| 4 | tOmpA | 2 |
Entities:
Entity 1, Skp, chain 1 162 residues - Formula weight is not available
native processed E. coli Skp (residues 21 - 161) hexahistidin-tag and thrombin cleavage site
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
| 3 | MET | ALA | ASP | LYS | ILE | ALA | ILE | VAL | ASN | MET | ||||
| 4 | GLY | SER | LEU | PHE | GLN | GLN | VAL | ALA | GLN | LYS | ||||
| 5 | THR | GLY | VAL | SER | ASN | THR | LEU | GLU | ASN | GLU | ||||
| 6 | PHE | LYS | GLY | ARG | ALA | SER | GLU | LEU | GLN | ARG | ||||
| 7 | MET | GLU | THR | ASP | LEU | GLN | ALA | LYS | MET | LYS | ||||
| 8 | LYS | LEU | GLN | SER | MET | LYS | ALA | GLY | SER | ASP | ||||
| 9 | ARG | THR | LYS | LEU | GLU | LYS | ASP | VAL | MET | ALA | ||||
| 10 | GLN | ARG | GLN | THR | PHE | ALA | GLN | LYS | ALA | GLN | ||||
| 11 | ALA | PHE | GLU | GLN | ASP | ARG | ALA | ARG | ARG | SER | ||||
| 12 | ASN | GLU | GLU | ARG | GLY | LYS | LEU | VAL | THR | ARG | ||||
| 13 | ILE | GLN | THR | ALA | VAL | LYS | SER | VAL | ALA | ASN | ||||
| 14 | SER | GLN | ASP | ILE | ASP | LEU | VAL | VAL | ASP | ALA | ||||
| 15 | ASN | ALA | VAL | ALA | TYR | ASN | SER | SER | ASP | VAL | ||||
| 16 | LYS | ASP | ILE | THR | ALA | ASP | VAL | LEU | LYS | GLN | ||||
| 17 | VAL | LYS |
Entity 2, tOmpA 177 residues - Formula weight is not available
native processed E. Coli OmpA (residues 22-197) + initiator methionine
| 1 | MET | ALA | PRO | LYS | ASP | ASN | THR | TRP | TYR | THR | ||||
| 2 | GLY | ALA | LYS | LEU | GLY | TRP | SER | GLN | TYR | HIS | ||||
| 3 | ASP | THR | GLY | PHE | ILE | ASN | ASN | ASN | GLY | PRO | ||||
| 4 | THR | HIS | GLU | ASN | GLN | LEU | GLY | ALA | GLY | ALA | ||||
| 5 | PHE | GLY | GLY | TYR | GLN | VAL | ASN | PRO | TYR | VAL | ||||
| 6 | GLY | PHE | GLU | MET | GLY | TYR | ASP | TRP | LEU | GLY | ||||
| 7 | ARG | MET | PRO | TYR | LYS | GLY | SER | VAL | GLU | ASN | ||||
| 8 | GLY | ALA | TYR | LYS | ALA | GLN | GLY | VAL | GLN | LEU | ||||
| 9 | THR | ALA | LYS | LEU | GLY | TYR | PRO | ILE | THR | ASP | ||||
| 10 | ASP | LEU | ASP | ILE | TYR | THR | ARG | LEU | GLY | GLY | ||||
| 11 | MET | VAL | TRP | ARG | ALA | ASP | THR | LYS | SER | ASN | ||||
| 12 | VAL | TYR | GLY | LYS | ASN | HIS | ASP | THR | GLY | VAL | ||||
| 13 | SER | PRO | VAL | PHE | ALA | GLY | GLY | VAL | GLU | TYR | ||||
| 14 | ALA | ILE | THR | PRO | GLU | ILE | ALA | THR | ARG | LEU | ||||
| 15 | GLU | TYR | GLN | TRP | THR | ASN | ASN | ILE | GLY | ASP | ||||
| 16 | ALA | HIS | THR | ILE | GLY | THR | ARG | PRO | ASP | ASN | ||||
| 17 | GLY | MET | LEU | SER | LEU | GLY | VAL | SER | TYR | ARG | ||||
| 18 | PHE | GLY | GLN | GLY | GLU | ALA | ALA |
Samples:
sample_1: Escherichia_Coli_Skp (trimer), [U-13CE, U-1H]-Met; [U-13CB; U-1HB]-Ala; [U-2H; U-15N], 0.7 mM; H2O 90%; D2O 10%; MES 25 mM; NaCl 150 mM; Escherichia_Coli_tOmpA, [U-13CD, U-1HD]-Ile; [U-13CG; U-1HG]-Leu; [U-13CG; U-1HG]_Val; [U-2H; U-15N], 0.4 mM
sample_conditions_1: ionic strength: 0.150 M; pH: 6.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
XEASY, Keller and Wuthrich - chemical shift assignment, data analysis
TOPSPIN, Bruker Biospin - collection
PROSA, Guntert - processing
NMR spectrometers:
- Bruker AscendII 700 MHz
Related Database Links:
| PDB | |
| BMRB | 19409 19410 19407 19407 19408 19409 19733 19409 19410 19940 |
| UNP | P0AEU7 P0A910 |
| DBJ | BAA77853 BAB33603 BAG75701 BAI23539 BAI29054 BAA35715 BAB34464 BAG76542 BAI24400 BAI29850 |
| EMBL | CAA38567 CAP74747 CAQ30692 CAQ97065 CAR01553 CAA23588 CAP75420 CAQ31485 CAR02310 CAR07182 |
| GB | AAA24630 AAB08607 AAC73289 AAG54480 AAN41830 AAC74043 AAF37887 AAG55443 AAP74759 AAT02227 |
| REF | NP_308207 NP_414720 NP_706123 WP_000758954 WP_000758955 NP_286832 NP_309068 NP_415477 WP_000091488 WP_000315442 |
| SP | P0AEU7 P0AEU8 P0AEU9 P0AEV0 Q325W2 P0A910 P0A911 |
| AlphaFold | P11457 P02934 P0AEU7 P0AEU8 P0AEU9 P0AEV0 Q325W2 P0A910 P0A911 |