BMRB Entry 16454
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16454
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Citation: Dolmer, Klavs; Huang, Wen; Gettins, Peter. "NMR Solution Structure of Complement-like Repeat CR3 from the Low Density Lipoprotein Receptor-related Protein" J. Biol. Chem. 275, 3264-3269 (2000).
PubMed: 10652313
Assembly members:
CR3, polymer, 41 residues, Formula weight is not available
RBD, polymer, 357 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.
Natural source: Common Name: Pseudomonas Taxonomy ID: 286 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas not available
Experimental source: Production method: recombinant technology Host organism: homo sapiens Vector: na
Entity Sequences (FASTA):
CR3: QCQPGEFACANSRCIQERWK
CDGDNDCLDNSDEAPALCHQ
H
RBD: MAPRRVRSFLRGLPALLLLL
LFLGPWPAASHGGKYSREKN
QPKPSPKRESGEEFRMEKLN
QLWEKAQRLHLPPWRLAELH
ADLKIQERDELAWKKLKLDG
LDEDGEKEARLIRNLNVILA
KYGLDGKKDARQVTSNSLSG
TQEDGLDDPRLEKLWHKAKT
SGKFSGEELDKLWREFLHHK
EKVHEYNVLLETLSRTEEIH
ENVISPSDLSDIKGSVLHSR
HTELKEKLRSINQGLDRLRR
VSHQGYSTEAEFEEPRVIDL
WDLAQSANLTDKELEAFREE
LKHFEAKIEKHNHYQKQLEI
AHEKLRHAESVGDGERVSRS
REKHALLEGRTKELGYTVKK
HLQDLSGRISRARHNEL
- binding_constants
| Data type | Count |
| binding constants | 1 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CR3 | 1 |
| 2 | RBD | 2 |
| 3 | Calcium ion | 3 |
Entities:
Entity 1, CR3 41 residues - Formula weight is not available
| 1 | GLN | CYS | GLN | PRO | GLY | GLU | PHE | ALA | CYS | ALA | ||||
| 2 | ASN | SER | ARG | CYS | ILE | GLN | GLU | ARG | TRP | LYS | ||||
| 3 | CYS | ASP | GLY | ASP | ASN | ASP | CYS | LEU | ASP | ASN | ||||
| 4 | SER | ASP | GLU | ALA | PRO | ALA | LEU | CYS | HIS | GLN | ||||
| 5 | HIS |
Entity 2, RBD 357 residues - Formula weight is not available
| 1 | MET | ALA | PRO | ARG | ARG | VAL | ARG | SER | PHE | LEU | ||||
| 2 | ARG | GLY | LEU | PRO | ALA | LEU | LEU | LEU | LEU | LEU | ||||
| 3 | LEU | PHE | LEU | GLY | PRO | TRP | PRO | ALA | ALA | SER | ||||
| 4 | HIS | GLY | GLY | LYS | TYR | SER | ARG | GLU | LYS | ASN | ||||
| 5 | GLN | PRO | LYS | PRO | SER | PRO | LYS | ARG | GLU | SER | ||||
| 6 | GLY | GLU | GLU | PHE | ARG | MET | GLU | LYS | LEU | ASN | ||||
| 7 | GLN | LEU | TRP | GLU | LYS | ALA | GLN | ARG | LEU | HIS | ||||
| 8 | LEU | PRO | PRO | TRP | ARG | LEU | ALA | GLU | LEU | HIS | ||||
| 9 | ALA | ASP | LEU | LYS | ILE | GLN | GLU | ARG | ASP | GLU | ||||
| 10 | LEU | ALA | TRP | LYS | LYS | LEU | LYS | LEU | ASP | GLY | ||||
| 11 | LEU | ASP | GLU | ASP | GLY | GLU | LYS | GLU | ALA | ARG | ||||
| 12 | LEU | ILE | ARG | ASN | LEU | ASN | VAL | ILE | LEU | ALA | ||||
| 13 | LYS | TYR | GLY | LEU | ASP | GLY | LYS | LYS | ASP | ALA | ||||
| 14 | ARG | GLN | VAL | THR | SER | ASN | SER | LEU | SER | GLY | ||||
| 15 | THR | GLN | GLU | ASP | GLY | LEU | ASP | ASP | PRO | ARG | ||||
| 16 | LEU | GLU | LYS | LEU | TRP | HIS | LYS | ALA | LYS | THR | ||||
| 17 | SER | GLY | LYS | PHE | SER | GLY | GLU | GLU | LEU | ASP | ||||
| 18 | LYS | LEU | TRP | ARG | GLU | PHE | LEU | HIS | HIS | LYS | ||||
| 19 | GLU | LYS | VAL | HIS | GLU | TYR | ASN | VAL | LEU | LEU | ||||
| 20 | GLU | THR | LEU | SER | ARG | THR | GLU | GLU | ILE | HIS | ||||
| 21 | GLU | ASN | VAL | ILE | SER | PRO | SER | ASP | LEU | SER | ||||
| 22 | ASP | ILE | LYS | GLY | SER | VAL | LEU | HIS | SER | ARG | ||||
| 23 | HIS | THR | GLU | LEU | LYS | GLU | LYS | LEU | ARG | SER | ||||
| 24 | ILE | ASN | GLN | GLY | LEU | ASP | ARG | LEU | ARG | ARG | ||||
| 25 | VAL | SER | HIS | GLN | GLY | TYR | SER | THR | GLU | ALA | ||||
| 26 | GLU | PHE | GLU | GLU | PRO | ARG | VAL | ILE | ASP | LEU | ||||
| 27 | TRP | ASP | LEU | ALA | GLN | SER | ALA | ASN | LEU | THR | ||||
| 28 | ASP | LYS | GLU | LEU | GLU | ALA | PHE | ARG | GLU | GLU | ||||
| 29 | LEU | LYS | HIS | PHE | GLU | ALA | LYS | ILE | GLU | LYS | ||||
| 30 | HIS | ASN | HIS | TYR | GLN | LYS | GLN | LEU | GLU | ILE | ||||
| 31 | ALA | HIS | GLU | LYS | LEU | ARG | HIS | ALA | GLU | SER | ||||
| 32 | VAL | GLY | ASP | GLY | GLU | ARG | VAL | SER | ARG | SER | ||||
| 33 | ARG | GLU | LYS | HIS | ALA | LEU | LEU | GLU | GLY | ARG | ||||
| 34 | THR | LYS | GLU | LEU | GLY | TYR | THR | VAL | LYS | LYS | ||||
| 35 | HIS | LEU | GLN | ASP | LEU | SER | GLY | ARG | ILE | SER | ||||
| 36 | ARG | ALA | ARG | HIS | ASN | GLU | LEU |
Entity 3, Calcium ion - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: CR3, [U-13C; U-15N], 100 uM; Tris-HCl 20 mM; sodium chloride 100 mM; Ca2+ 10 mM; sodium azide 0.1%; RBD0 – 400 uM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.4; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
Triad v6.3, (Tripos, Inc., ST. Louis, MO) - processing
DYANA v1.5, Guntert, Braun and Wuthrich - structure solution
AMBER v5.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - structure solution
NMR spectrometers:
- Bruker DRX 600 MHz