BMRB Entry 19145
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR19145
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title: A STRUCTURAL MODEL OF CAP MUTANT (T127L AND S128I) IN CGMP- BOUND STATE PubMed: 23644478
Deposition date: 2013-04-05 Original release date: 2013-05-30
Authors: Tzeng, Shiou-Ru; Kalodimos, C.
Citation: Tzeng, Shiou-Ru; Kalodimos, Charalampos. "Allosteric inhibition through suppression of transient conformational states." Nat. Chem. Biol. 9, 462-465 (2013).
Assembly members:
CAMP_RECEPTOR_PROTEIN, polymer, 209 residues, 23548.3085 Da.
entity_PCG, non-polymer, 345.205 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
CAMP_RECEPTOR_PROTEIN: VLGKPQTDPTLEWFLSHCHI
HKYPSKSTLIHQGEKAETLY
YIVKGSVAVLIKDEEGKEMI
LSYLNQGDFIGELGLFEEGQ
ERSAWVRAKTACEVAEISYK
KFRQLIQVNPDILMRLSAQM
ARRLQVLIEKVGNLAFLDVT
GRIAQTLLNLAKQPDAMTHP
DGMQIKITRQEIGQIVGCSR
ETVGRILKMLEDQNLISAHG
KTIVVYGTR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 251 |
| 15N chemical shifts | 118 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CAMP RECEPTOR PROTEIN | 1 |
| 2 | cGMP | 2 |
Entities:
Entity 1, CAMP RECEPTOR PROTEIN 209 residues - 23548.3085 Da.
| 1 | VAL | LEU | GLY | LYS | PRO | GLN | THR | ASP | PRO | THR | ||||
| 2 | LEU | GLU | TRP | PHE | LEU | SER | HIS | CYS | HIS | ILE | ||||
| 3 | HIS | LYS | TYR | PRO | SER | LYS | SER | THR | LEU | ILE | ||||
| 4 | HIS | GLN | GLY | GLU | LYS | ALA | GLU | THR | LEU | TYR | ||||
| 5 | TYR | ILE | VAL | LYS | GLY | SER | VAL | ALA | VAL | LEU | ||||
| 6 | ILE | LYS | ASP | GLU | GLU | GLY | LYS | GLU | MET | ILE | ||||
| 7 | LEU | SER | TYR | LEU | ASN | GLN | GLY | ASP | PHE | ILE | ||||
| 8 | GLY | GLU | LEU | GLY | LEU | PHE | GLU | GLU | GLY | GLN | ||||
| 9 | GLU | ARG | SER | ALA | TRP | VAL | ARG | ALA | LYS | THR | ||||
| 10 | ALA | CYS | GLU | VAL | ALA | GLU | ILE | SER | TYR | LYS | ||||
| 11 | LYS | PHE | ARG | GLN | LEU | ILE | GLN | VAL | ASN | PRO | ||||
| 12 | ASP | ILE | LEU | MET | ARG | LEU | SER | ALA | GLN | MET | ||||
| 13 | ALA | ARG | ARG | LEU | GLN | VAL | LEU | ILE | GLU | LYS | ||||
| 14 | VAL | GLY | ASN | LEU | ALA | PHE | LEU | ASP | VAL | THR | ||||
| 15 | GLY | ARG | ILE | ALA | GLN | THR | LEU | LEU | ASN | LEU | ||||
| 16 | ALA | LYS | GLN | PRO | ASP | ALA | MET | THR | HIS | PRO | ||||
| 17 | ASP | GLY | MET | GLN | ILE | LYS | ILE | THR | ARG | GLN | ||||
| 18 | GLU | ILE | GLY | GLN | ILE | VAL | GLY | CYS | SER | ARG | ||||
| 19 | GLU | THR | VAL | GLY | ARG | ILE | LEU | LYS | MET | LEU | ||||
| 20 | GLU | ASP | GLN | ASN | LEU | ILE | SER | ALA | HIS | GLY | ||||
| 21 | LYS | THR | ILE | VAL | VAL | TYR | GLY | THR | ARG |
Entity 2, cGMP - C10 H12 N5 O7 P - 345.205 Da.
| 1 | PCG |
Samples:
sample_1: CAMP RECEPTOR PROTEIN, [U-13C; U-15N], 0.2 mM
sample_conditions_1: ionic strength: 500.000 mM; pH: 6.000; pressure: 1 atm; temperature: 305.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| n/a | sample_1 | solution | sample_conditions_1 |
| HNCA | sample_1 | solution | sample_conditions_1 |
| HNCACB | sample_1 | solution | sample_conditions_1 |
Software:
AutoDep v4.3, PDBe - collection
CARA vany - chemical shift assignment
CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment
HADDOCK vany - chemical shift calculation
NMRPipe vany - chemical shift assignment
NMR spectrometers:
- Bruker Avance 0 MHz
- VARIAN VNMRS 600 MHz
- Bruker AVANCEIII 700 MHz
Related Database Links:
| UNP | CRP_ECOLI |
| BMRB | 19144 4388 |
| PDB | |
| DBJ | BAB37631 BAC10627 BAE75576 BAE77933 BAG79143 |
| EMBL | CAA04867 CAA61609 CAC07215 CAD08147 CAE12690 |
| GB | AAA23601 AAA25058 AAA26515 AAA27039 AAA58154 |
| PIR | A44903 AG1002 |
| REF | NP_312235 NP_417816 NP_458435 NP_462369 NP_709132 |
| SP | P0A2T6 P0A2T7 P0ACJ8 P0ACJ9 P0ACK0 |
| AlphaFold | Q2M723 P0A2T6 P0A2T7 P0ACJ8 P0ACJ9 P0ACK0 |