BMRB Entry 16063
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16063
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Title: Solution structure of ILK/PINCH complex PubMed: 19117955
Deposition date: 2008-12-17 Original release date: 2009-04-16
Authors: Qin, Jun
Citation: Yang, Yanwu; Wang, Xiaoxia; Hawkins, Cheryl; Chen, Kan; Vaynberg, Julia; Mao, Xian; Tu, Yizeng; Zuo, Xiaobing; Wang, Jinbu; Wang, Yun-xing; Wu, Chuanyue; Tjandra, Nico; Qin, Jun. "Structural Basis of Focal Adhesion Localization of LIM-only Adaptor PINCH by Integrin-linked Kinase" J. Biol. Chem. 284, 5836-5844 (2009).
Assembly members:
ILK, polymer, 171 residues, 19380.070 Da.
PINCH, polymer, 70 residues, 7963.068 Da.
ZN, 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):
ILK: MDDIFTQCREGNAVAVRLWL
DNTENDLNQGDDHGFSPLHW
ACREGRSAVVEMLIMRGARI
NVMNRGDDTPLHLAASHGHR
DIVQKLLQYKADINAVNEHG
NVPLHYACFWGQDQVAEDLV
ANGALVSICNKYGEMPVDKA
KAPLRELLRERAEKMGQNLN
RIPYKDTFWKG
PINCH: MANALASATCERCKGGFAPA
EKIVNSNGELYHEQCFVCAQ
CFQQFPEGLFYEFEGRKYCE
HDFQMLFAPC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 583 |
| 15N chemical shifts | 190 |
| 1H chemical shifts | 1211 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ILK | 1 |
| 2 | PINCH | 2 |
| 3 | ZINC ION_1 | 3 |
| 4 | ZINC ION_2 | 3 |
Entities:
Entity 1, ILK 171 residues - 19380.070 Da.
| 1 | MET | ASP | ASP | ILE | PHE | THR | GLN | CYS | ARG | GLU | ||||
| 2 | GLY | ASN | ALA | VAL | ALA | VAL | ARG | LEU | TRP | LEU | ||||
| 3 | ASP | ASN | THR | GLU | ASN | ASP | LEU | ASN | GLN | GLY | ||||
| 4 | ASP | ASP | HIS | GLY | PHE | SER | PRO | LEU | HIS | TRP | ||||
| 5 | ALA | CYS | ARG | GLU | GLY | ARG | SER | ALA | VAL | VAL | ||||
| 6 | GLU | MET | LEU | ILE | MET | ARG | GLY | ALA | ARG | ILE | ||||
| 7 | ASN | VAL | MET | ASN | ARG | GLY | ASP | ASP | THR | PRO | ||||
| 8 | LEU | HIS | LEU | ALA | ALA | SER | HIS | GLY | HIS | ARG | ||||
| 9 | ASP | ILE | VAL | GLN | LYS | LEU | LEU | GLN | TYR | LYS | ||||
| 10 | ALA | ASP | ILE | ASN | ALA | VAL | ASN | GLU | HIS | GLY | ||||
| 11 | ASN | VAL | PRO | LEU | HIS | TYR | ALA | CYS | PHE | TRP | ||||
| 12 | GLY | GLN | ASP | GLN | VAL | ALA | GLU | ASP | LEU | VAL | ||||
| 13 | ALA | ASN | GLY | ALA | LEU | VAL | SER | ILE | CYS | ASN | ||||
| 14 | LYS | TYR | GLY | GLU | MET | PRO | VAL | ASP | LYS | ALA | ||||
| 15 | LYS | ALA | PRO | LEU | ARG | GLU | LEU | LEU | ARG | GLU | ||||
| 16 | ARG | ALA | GLU | LYS | MET | GLY | GLN | ASN | LEU | ASN | ||||
| 17 | ARG | ILE | PRO | TYR | LYS | ASP | THR | PHE | TRP | LYS | ||||
| 18 | GLY |
Entity 2, PINCH 70 residues - 7963.068 Da.
| 1 | MET | ALA | ASN | ALA | LEU | ALA | SER | ALA | THR | CYS | |
| 2 | GLU | ARG | CYS | LYS | GLY | GLY | PHE | ALA | PRO | ALA | |
| 3 | GLU | LYS | ILE | VAL | ASN | SER | ASN | GLY | GLU | LEU | |
| 4 | TYR | HIS | GLU | GLN | CYS | PHE | VAL | CYS | ALA | GLN | |
| 5 | CYS | PHE | GLN | GLN | PHE | PRO | GLU | GLY | LEU | PHE | |
| 6 | TYR | GLU | PHE | GLU | GLY | ARG | LYS | TYR | CYS | GLU | |
| 7 | HIS | ASP | PHE | GLN | MET | LEU | PHE | ALA | PRO | CYS |
Entity 3, ZINC ION_1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: entity_1, [U-100% 15N], 0.1-0.5 mM; entity_1, [U-100% 13C; U-100% 15N], 0.1-0.5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAG73298 BAH12404 BAH56666 BAG35111 BAG60588 BAH14581 |
| EMBL | CAB94832 CAB99253 CAG28601 CAH18077 CAH92862 |
| GB | AAB94646 AAC16892 AAF70501 AAF74449 AAH01554 AAF99328 AAH93812 AAI12234 AAY14903 AAY24131 |
| PRF | 2202330A |
| REF | NP_001014794 NP_001014795 NP_001029865 NP_001126674 NP_001155196 NP_001192217 NP_277049 XP_002811796 XP_002929430 XP_003309226 |
| SP | O55222 P57044 Q13418 Q3SWY2 Q5R5V4 P0CW19 P0CW20 |
| TPG | DAA22142 |
| BMRB | 4884 |
Download simulated HSQC data in one of the following formats:
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or all simulated shifts