BMRB Entry 19147
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19147
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Title: ZINC Binding Domain
Deposition date: 2013-04-06 Original release date: 2014-01-24
Authors: Frye, Jeremiah; Brown, Nicholas; Petzold, Georg; Watson, Edmond; Royappa, Grace; Nourse, Amanda; Jarvis, Marc; Kriwacki, Richard; Peters, Jan-Michael; Stark, Holger; Schulman, Brenda
Citation: Frye, Jeremiah; Brown, Nicholas; Petzold, Georg; Watson, Edmond; Royappa, Grace; Nourse, Amanda; Jarvis, Marc; Kriwacki, Richard; Peters, Jan-Michael; Stark, Holger; Schulman, Brenda. "EM Structure of APC/C_CDH1-EMI1: multimodal mechanism of E3 ligase shutdown" Nat. Struct. Biol. ., .-..
Assembly members:
APC/C_CDH1-EMI1, polymer, 86 residues, 9605.396 Da.
ZINC ION, non-polymer, 65.409 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):
APC/C_CDH1-EMI1: GSEVAKTLKKNESLKACIRC
NSPAKYDCYLQRATCKREGC
GFDYCTKCLCNYHTTKDCSD
GKLLKASCKIGPLPGTKKSK
KNLRRL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 355 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 601 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | APC/C_CDH1-EMI1 | 1 |
| 2 | ZINC ION_1 | 2 |
| 3 | ZINC ION_2 | 2 |
Entities:
Entity 1, APC/C_CDH1-EMI1 86 residues - 9605.396 Da.
| 1 | GLY | SER | GLU | VAL | ALA | LYS | THR | LEU | LYS | LYS | ||||
| 2 | ASN | GLU | SER | LEU | LYS | ALA | CYS | ILE | ARG | CYS | ||||
| 3 | ASN | SER | PRO | ALA | LYS | TYR | ASP | CYS | TYR | LEU | ||||
| 4 | GLN | ARG | ALA | THR | CYS | LYS | ARG | GLU | GLY | CYS | ||||
| 5 | GLY | PHE | ASP | TYR | CYS | THR | LYS | CYS | LEU | CYS | ||||
| 6 | ASN | TYR | HIS | THR | THR | LYS | ASP | CYS | SER | ASP | ||||
| 7 | GLY | LYS | LEU | LEU | LYS | ALA | SER | CYS | LYS | ILE | ||||
| 8 | GLY | PRO | LEU | PRO | GLY | THR | LYS | LYS | SER | LYS | ||||
| 9 | LYS | ASN | LEU | ARG | ARG | LEU |
Entity 2, ZINC ION_1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: APC/C_CDH1-EMI1, [U-100% 13C; U-100% 15N], 0.8 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 50 mM; pH: 7.0; 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_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAG37064 BAG51487 |
| GB | AAF04469 AAH18905 AAL86610 ABM82848 ABM86032 |
| REF | NP_001135994 NP_036309 XP_001096104 XP_001141083 XP_002747165 |
| SP | Q9UKT4 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts