BMRB Entry 15866
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: LACS
BMRB Entry DOI: doi:10.13018/BMR15866
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Title: CIN85 Sh3-C domain in complex with ubiquitin PubMed: 18680311
Deposition date: 2008-07-07 Original release date: 2008-10-08
Authors: Forman-Kay, Julie; Bezsonova, Irina
Citation: Bezsonova, Irina; Bruce, Christine; Wiesner, Silke; Lin, Hong; Rotin, Daniela; Forman-Kay, Julie. "Interactions between the three CIN85 SH3 domains and ubiquitin: implications for CIN85 ubiquitination." Biochemistry 47, 8937-8949 (2008).
Assembly members:
CIN85 Sh3-C domain, polymer, 62 residues, 7151.159 Da.
ubiquitin, polymer, 76 residues, 8623.001 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CIN85 Sh3-C domain: KSKDYCKVIFPYEAQNDDEL
TIKEGDIVTLINKDCIDVGW
WEGELNGRRGVFPDNFVKLL
PP
ubiquitin: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGKQLEDGRTLSDYN
IQKESTLHLVLRLRGC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 116 |
| 15N chemical shifts | 57 |
| 1H chemical shifts | 57 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1_1 | 1 |
| 2 | entity_2_1 | 2 |
| 3 | entity_1_2 | 1 |
| 4 | entity_2_2 | 2 |
| 5 | entity_1_3 | 1 |
| 6 | entity_2_3 | 2 |
| 7 | entity_1_4 | 1 |
| 8 | entity_2_4 | 2 |
| 9 | entity_1_5 | 1 |
| 10 | entity_2_5 | 2 |
| 11 | entity_1_6 | 1 |
| 12 | entity_2_6 | 2 |
| 13 | entity_1_7 | 1 |
| 14 | entity_2_7 | 2 |
| 15 | entity_1_8 | 1 |
| 16 | entity_2_8 | 2 |
Entities:
Entity 1, entity_1_1 62 residues - 7151.159 Da.
| 1 | LYS | SER | LYS | ASP | TYR | CYS | LYS | VAL | ILE | PHE | ||||
| 2 | PRO | TYR | GLU | ALA | GLN | ASN | ASP | ASP | GLU | LEU | ||||
| 3 | THR | ILE | LYS | GLU | GLY | ASP | ILE | VAL | THR | LEU | ||||
| 4 | ILE | ASN | LYS | ASP | CYS | ILE | ASP | VAL | GLY | TRP | ||||
| 5 | TRP | GLU | GLY | GLU | LEU | ASN | GLY | ARG | ARG | GLY | ||||
| 6 | VAL | PHE | PRO | ASP | ASN | PHE | VAL | LYS | LEU | LEU | ||||
| 7 | PRO | PRO |
Entity 2, entity_2_1 76 residues - 8623.001 Da.
| 1 | MET | GLN | ILE | PHE | VAL | LYS | THR | LEU | THR | GLY | ||||
| 2 | LYS | THR | ILE | THR | LEU | GLU | VAL | GLU | PRO | SER | ||||
| 3 | ASP | THR | ILE | GLU | ASN | VAL | LYS | ALA | LYS | ILE | ||||
| 4 | GLN | ASP | LYS | GLU | GLY | ILE | PRO | PRO | ASP | GLN | ||||
| 5 | GLN | ARG | LEU | ILE | PHE | ALA | GLY | LYS | GLN | LEU | ||||
| 6 | GLU | ASP | GLY | ARG | THR | LEU | SER | ASP | TYR | ASN | ||||
| 7 | ILE | GLN | LYS | GLU | SER | THR | LEU | HIS | LEU | VAL | ||||
| 8 | LEU | ARG | LEU | ARG | GLY | CYS |
Samples:
sample_2: entity_1 0.1-1.0 mM; entity_2, [U-100% 15N], 0.1-5.0 mM; sodium phosphate 50 mM; DTT 2 mM; DSS 5 mM; sodium chloride 150 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_1: entity_1, [U-100% 15N], 0.1-1.0 mM; entity_2 0.1-5.0 mM; sodium phosphate 50 mM; DTT 2 mM; DSS 5 mM; sodium chloride 150 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_3: entity_1, [U-100% 13C; U-100% 15N], 1.0 mM; sodium phosphate 50 mM; DTT 2 mM; DSS 5 mM; sodium chloride 150 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_conditions_1: ionic strength: 0.150 M; pH: 6.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_3 | isotropic | sample_conditions_1 |
| IPAP | sample_1 | isotropic | sample_conditions_1 |
| IPAP | sample_2 | isotropic | sample_conditions_1 |
Software:
HADDOCK, Cyril Dominguez, Rolf Boelens and Alexandre M.J.J. Bonvin - structure solution
NMR spectrometers:
- Varian INOVA 500 MHz
Related Database Links:
| PDB | |
| DBJ | BAE36553 BAH11471 BAH13234 BAA03983 BAA09860 BAA11842 BAA11843 BAA23486 |
| GB | AAK51627 AAK51628 AAK95587 AAL82459 AAL82460 AAA02769 AAA28154 AAA28997 AAA28998 AAA28999 |
| REF | NP_001129200 NP_001171889 XP_004000379 XP_004063940 XP_004401574 NP_001005123 NP_001006688 NP_001009117 NP_001009202 NP_001009286 |
| BMRB | 11505 11547 15047 15410 15689 15907 16228 16582 16626 16763 16880 16885 16895 17059 17181 17239 17333 17439 17769 17919 18582 18583 18584 18610 18611 18737 19394 19399 19406 19412 19447 25070 25230 4245 4375 4983 5101 5387 6457 6466 6470 6488 68 7111 |
| EMBL | CAA26488 CAA28495 CAA30183 CAA30815 CAA33466 |
| PIR | I50437 I51568 I65237 JN0790 S13928 |
| PRF | 0412265A 1212243A 1212243B 1212243C 1212243D |
| SP | P0C273 P0C275 P0C276 P0CG47 P0CG48 |
| TPD | FAA00319 |
| TPG | DAA18802 DAA20663 DAA20672 DAA24675 DAA28295 |
Download simulated HSQC data in one of the following formats:
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or all simulated shifts
SPARKY: Backbone
or all simulated shifts