BMRB Entry 16496
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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/BMR16496
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Title: PLATELET INTEGRIN ALFAIIB-BETA3 TRANSMEMBRANE- CYTOPLASMIC HETEROCOMPLEX PubMed: 19805198
Deposition date: 2009-09-15 Original release date: 2009-12-18
Authors: Yang, Jun; Ma, Yan-Qing; Page, Richard; Misra, Saurav; Plow, Edward; Qin, Jun
Citation: Yang, Jun; Ma, Yan-Qing; Page, Richard; Misra, Saurav; Plow, Edward; Qin, Jun. "Structure of an integrin alphaIIb beta3 transmembrane-cytoplasmic heterocomplex provides insight into integrin activation." Proc. Natl. Acad. Sci. U.S.A. 106, 17729-17734 (2009).
Assembly members:
AIIbTMCD, polymer, 54 residues, 5653.673 Da.
B3TMCD, polymer, 79 residues, 8371.900 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):
AIIbTMCD: GAMGSEERAIPIWWVLVGVL
GGLLLLTILVLAMWKVGFFK
RNRPPLEEDDEEGE
B3TMCD: GAMGSKGPDILVVLLSVMGA
ILLIGLAALLIWKLLITIHD
RKEFAKFEEERARAKWDTAN
NPLYKEATSTFTNITYRGT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 529 |
| 15N chemical shifts | 140 |
| 1H chemical shifts | 860 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 54 residues - 5653.673 Da.
Residues 1-5 is a non-native remaining after enzymatic cleavage
| 1 | GLY | ALA | MET | GLY | SER | GLU | GLU | ARG | ALA | ILE | ||||
| 2 | PRO | ILE | TRP | TRP | VAL | LEU | VAL | GLY | VAL | LEU | ||||
| 3 | GLY | GLY | LEU | LEU | LEU | LEU | THR | ILE | LEU | VAL | ||||
| 4 | LEU | ALA | MET | TRP | LYS | VAL | GLY | PHE | PHE | LYS | ||||
| 5 | ARG | ASN | ARG | PRO | PRO | LEU | GLU | GLU | ASP | ASP | ||||
| 6 | GLU | GLU | GLY | GLU |
Entity 2, entity_2 79 residues - 8371.900 Da.
Residues 1-5 is a non-native remaining after enzymatic cleavage
| 1 | GLY | ALA | MET | GLY | SER | LYS | GLY | PRO | ASP | ILE | ||||
| 2 | LEU | VAL | VAL | LEU | LEU | SER | VAL | MET | GLY | ALA | ||||
| 3 | ILE | LEU | LEU | ILE | GLY | LEU | ALA | ALA | LEU | LEU | ||||
| 4 | ILE | TRP | LYS | LEU | LEU | ILE | THR | ILE | HIS | ASP | ||||
| 5 | ARG | LYS | GLU | PHE | ALA | LYS | PHE | GLU | GLU | GLU | ||||
| 6 | ARG | ALA | ARG | ALA | LYS | TRP | ASP | THR | ALA | ASN | ||||
| 7 | ASN | PRO | LEU | TYR | LYS | GLU | ALA | THR | SER | THR | ||||
| 8 | PHE | THR | ASN | ILE | THR | TYR | ARG | GLY | THR |
Samples:
sample_1: AIIbTMCD, [U-100% 13C; U-100% 15N], 0.2 mM; B3TMCD 0.6 mM; CD3CN 50%; H2O 50%; TFA 0.1%
sample_2: B3TMCD, [U-100% 13C; U-100% 15N], 0.2 mM; AIIbTMCD 0.6 mM; CD3CN 50%; H2O 50%; TFA 0.1%
sample_3: B3TMCD, [U-100% 2H; U-100% 15N], 0.4 mM; AIIbTMCD 1.2 mM; CD3CN 50%; H2O 50%; TFA 0.1%
sample_4: AIIbTMCD, [U-100% 2H; U-100% 15N], 0.4 mM; B3TMCD 1.2 mM; CD3CN 50%; H2O 50%; TFA 0.1%
sample_conditions_1: pH: .; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D 13C-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 13C-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_4 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH v2.15.0, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMRPipe v2.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PASA, Xu, Wang, Yang, Vaynberg, Qin - chemical shift assignment
Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - structure validation
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
- Bruker Avance 900 MHz
Related Database Links:
| BMRB | 16497 15552 16771 17930 17932 |
| PDB | |
| DBJ | BAG37735 BAI46167 BAE34283 BAG62151 BAJ17755 |
| EMBL | CAA29987 CAD29521 |
| GB | AAA52597 AAA53150 AAA60114 AAA65936 AAI17444 AAA35927 AAA52589 AAA52600 AAA60122 AAB27096 |
| PRF | 1403305A |
| REF | NP_000410 XP_001114526 XP_001150497 XP_002827479 XP_003282434 NP_000203 NP_001003162 NP_001075271 NP_001075535 NP_001193419 |
| SP | P08514 P53711 O54890 P05106 |
| TPG | DAA18403 |
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