BMRB Entry 17016
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17016
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Title: solution structure of the CARMIL CAH3a/b domain bound to capping protein (CP_ PubMed: 20630878
Deposition date: 2010-06-23 Original release date: 2010-08-12
Authors: Zwolak, Adam; Nico, Tjandra
Citation: Zwolak, Adam; Uruno, Takehito; Piszczek, Grzegorz; Hammer, John; Tjandra, Nico. "Molecular basis for barbed end uncapping by CARMIL homology domain 3 of mouse CARMIL-1." J. Biol. Chem. 285, 29014-29026 (2010).
Assembly members:
CPalpha_subunit, polymer, 286 residues, Formula weight is not available
CPbeta_subunit, polymer, 277 residues, Formula weight is not available
CARMIL_CAH3a_b_domain, polymer, 81 residues, Formula weight is not available
Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CPalpha_subunit: MADFEDRVSDEEKVRIAAKF
ITHAPPGEFNEVFNDVRLLL
NNDNLLREGAAHAFAQYNMD
QFTPVKIEGYDDQVLITEHG
DLGNSRFLDPRNQISFKFDH
LRKEASDPQPEDVDGGLKSW
RESCDSALRAYVKDHYSNGF
CTVYAKTIDGQQTIIACIES
HQFQPKNFWNGRWRSEWKFT
ITPPSAQVVAVLKIQVHYYE
DGNVQLVSHKDVQDSVTVSN
EVQTAKEFIKIIESAENEYQ
TAISENYQTMSDTTFKALRR
QLPVTRTKIDWNKILSYKIG
KEMQNA
CPbeta_subunit: MSDQQLDCALDLMRRLPPQQ
IEKNLSDLIDLVPSLCEDLL
SSVDQPLKIARDKVVGKDYL
LCDYNRDGDSYRSPWSNKYD
PPLEDGAMPSARLRKLEVEA
NNAFDQYRDLYFEGGVSSVY
LWDLDHGFAGVILIKKAGDG
SKKIKGCWDSIHVVEVQEKS
SGRTAHYKLTSTVMLWLQTN
KTGSGTMNLGGSLTRQMEKD
ETVSDSSPHIANIGRLVEDM
ENKIRSTLNEIYFGKTKDIV
NGLRSVQTFADKSKQEALKN
DLVEALKRKQQCIQPDN
CARMIL_CAH3a_b_domain: GAMGSWSVRQEKRSSGLISE
LPSEEGRRLEHFTKLRPKRN
KKQQPTQAAVCTISILPQDG
EQNGLMGRVDEGVDEFFTKK
V
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 1504 |
| 15N chemical shifts | 474 |
| 1H chemical shifts | 474 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CPalpha_subunit | 1 |
| 2 | CPbeta_subunit | 2 |
| 3 | CARMIL_CAH3a_b_domain | 3 |
Entities:
Entity 1, CPalpha_subunit 286 residues - Formula weight is not available
| 1 | MET | ALA | ASP | PHE | GLU | ASP | ARG | VAL | SER | ASP | ||||
| 2 | GLU | GLU | LYS | VAL | ARG | ILE | ALA | ALA | LYS | PHE | ||||
| 3 | ILE | THR | HIS | ALA | PRO | PRO | GLY | GLU | PHE | ASN | ||||
| 4 | GLU | VAL | PHE | ASN | ASP | VAL | ARG | LEU | LEU | LEU | ||||
| 5 | ASN | ASN | ASP | ASN | LEU | LEU | ARG | GLU | GLY | ALA | ||||
| 6 | ALA | HIS | ALA | PHE | ALA | GLN | TYR | ASN | MET | ASP | ||||
| 7 | GLN | PHE | THR | PRO | VAL | LYS | ILE | GLU | GLY | TYR | ||||
| 8 | ASP | ASP | GLN | VAL | LEU | ILE | THR | GLU | HIS | GLY | ||||
| 9 | ASP | LEU | GLY | ASN | SER | ARG | PHE | LEU | ASP | PRO | ||||
| 10 | ARG | ASN | GLN | ILE | SER | PHE | LYS | PHE | ASP | HIS | ||||
| 11 | LEU | ARG | LYS | GLU | ALA | SER | ASP | PRO | GLN | PRO | ||||
| 12 | GLU | ASP | VAL | ASP | GLY | GLY | LEU | LYS | SER | TRP | ||||
| 13 | ARG | GLU | SER | CYS | ASP | SER | ALA | LEU | ARG | ALA | ||||
| 14 | TYR | VAL | LYS | ASP | HIS | TYR | SER | ASN | GLY | PHE | ||||
| 15 | CYS | THR | VAL | TYR | ALA | LYS | THR | ILE | ASP | GLY | ||||
| 16 | GLN | GLN | THR | ILE | ILE | ALA | CYS | ILE | GLU | SER | ||||
| 17 | HIS | GLN | PHE | GLN | PRO | LYS | ASN | PHE | TRP | ASN | ||||
| 18 | GLY | ARG | TRP | ARG | SER | GLU | TRP | LYS | PHE | THR | ||||
| 19 | ILE | THR | PRO | PRO | SER | ALA | GLN | VAL | VAL | ALA | ||||
| 20 | VAL | LEU | LYS | ILE | GLN | VAL | HIS | TYR | TYR | GLU | ||||
| 21 | ASP | GLY | ASN | VAL | GLN | LEU | VAL | SER | HIS | LYS | ||||
| 22 | ASP | VAL | GLN | ASP | SER | VAL | THR | VAL | SER | ASN | ||||
| 23 | GLU | VAL | GLN | THR | ALA | LYS | GLU | PHE | ILE | LYS | ||||
| 24 | ILE | ILE | GLU | SER | ALA | GLU | ASN | GLU | TYR | GLN | ||||
| 25 | THR | ALA | ILE | SER | GLU | ASN | TYR | GLN | THR | MET | ||||
| 26 | SER | ASP | THR | THR | PHE | LYS | ALA | LEU | ARG | ARG | ||||
| 27 | GLN | LEU | PRO | VAL | THR | ARG | THR | LYS | ILE | ASP | ||||
| 28 | TRP | ASN | LYS | ILE | LEU | SER | TYR | LYS | ILE | GLY | ||||
| 29 | LYS | GLU | MET | GLN | ASN | ALA |
Entity 2, CPbeta_subunit 277 residues - Formula weight is not available
| 1 | MET | SER | ASP | GLN | GLN | LEU | ASP | CYS | ALA | LEU | ||||
| 2 | ASP | LEU | MET | ARG | ARG | LEU | PRO | PRO | GLN | GLN | ||||
| 3 | ILE | GLU | LYS | ASN | LEU | SER | ASP | LEU | ILE | ASP | ||||
| 4 | LEU | VAL | PRO | SER | LEU | CYS | GLU | ASP | LEU | LEU | ||||
| 5 | SER | SER | VAL | ASP | GLN | PRO | LEU | LYS | ILE | ALA | ||||
| 6 | ARG | ASP | LYS | VAL | VAL | GLY | LYS | ASP | TYR | LEU | ||||
| 7 | LEU | CYS | ASP | TYR | ASN | ARG | ASP | GLY | ASP | SER | ||||
| 8 | TYR | ARG | SER | PRO | TRP | SER | ASN | LYS | TYR | ASP | ||||
| 9 | PRO | PRO | LEU | GLU | ASP | GLY | ALA | MET | PRO | SER | ||||
| 10 | ALA | ARG | LEU | ARG | LYS | LEU | GLU | VAL | GLU | ALA | ||||
| 11 | ASN | ASN | ALA | PHE | ASP | GLN | TYR | ARG | ASP | LEU | ||||
| 12 | TYR | PHE | GLU | GLY | GLY | VAL | SER | SER | VAL | TYR | ||||
| 13 | LEU | TRP | ASP | LEU | ASP | HIS | GLY | PHE | ALA | GLY | ||||
| 14 | VAL | ILE | LEU | ILE | LYS | LYS | ALA | GLY | ASP | GLY | ||||
| 15 | SER | LYS | LYS | ILE | LYS | GLY | CYS | TRP | ASP | SER | ||||
| 16 | ILE | HIS | VAL | VAL | GLU | VAL | GLN | GLU | LYS | SER | ||||
| 17 | SER | GLY | ARG | THR | ALA | HIS | TYR | LYS | LEU | THR | ||||
| 18 | SER | THR | VAL | MET | LEU | TRP | LEU | GLN | THR | ASN | ||||
| 19 | LYS | THR | GLY | SER | GLY | THR | MET | ASN | LEU | GLY | ||||
| 20 | GLY | SER | LEU | THR | ARG | GLN | MET | GLU | LYS | ASP | ||||
| 21 | GLU | THR | VAL | SER | ASP | SER | SER | PRO | HIS | ILE | ||||
| 22 | ALA | ASN | ILE | GLY | ARG | LEU | VAL | GLU | ASP | MET | ||||
| 23 | GLU | ASN | LYS | ILE | ARG | SER | THR | LEU | ASN | GLU | ||||
| 24 | ILE | TYR | PHE | GLY | LYS | THR | LYS | ASP | ILE | VAL | ||||
| 25 | ASN | GLY | LEU | ARG | SER | VAL | GLN | THR | PHE | ALA | ||||
| 26 | ASP | LYS | SER | LYS | GLN | GLU | ALA | LEU | LYS | ASN | ||||
| 27 | ASP | LEU | VAL | GLU | ALA | LEU | LYS | ARG | LYS | GLN | ||||
| 28 | GLN | CYS | ILE | GLN | PRO | ASP | ASN |
Entity 3, CARMIL_CAH3a_b_domain 81 residues - Formula weight is not available
| 1 | GLY | ALA | MET | GLY | SER | TRP | SER | VAL | ARG | GLN | ||||
| 2 | GLU | LYS | ARG | SER | SER | GLY | LEU | ILE | SER | GLU | ||||
| 3 | LEU | PRO | SER | GLU | GLU | GLY | ARG | ARG | LEU | GLU | ||||
| 4 | HIS | PHE | THR | LYS | LEU | ARG | PRO | LYS | ARG | ASN | ||||
| 5 | LYS | LYS | GLN | GLN | PRO | THR | GLN | ALA | ALA | VAL | ||||
| 6 | CYS | THR | ILE | SER | ILE | LEU | PRO | GLN | ASP | GLY | ||||
| 7 | GLU | GLN | ASN | GLY | LEU | MET | GLY | ARG | VAL | ASP | ||||
| 8 | GLU | GLY | VAL | ASP | GLU | PHE | PHE | THR | LYS | LYS | ||||
| 9 | VAL |
Samples:
CP_chemical_shift_perturpation: CPalpha subunit, [U-99% 15N; U-80% 2H], 0.35 mM; CPbeta subunit, [U-99% 15N; U-80% 2H], 0.35 mM; CARMIL CAH3a/b domain, [U-2H], 0.39 mM; H2O 93%; D2O 7%
CAH3a_b_chemical_shift_perturpation: CARMIL CAH3a/b domain, [U-99% 15N; U-80% 2H], 0.35 mM; CPalpha subunit, [U-2H], 0.39 mM; CPbeta subunit, [U-2H], 0.39 mM; H2O 93%; D2O 7%
intermolecular_PRE: CPalpha subunit, [U-99% 15N; U-80% 2H], 0.35 mM; CPbeta subunit, [U-99% 15N; U-80% 2H], 0.35 mM; CARMIL CAH3a/b domain, [U-2H; spin labeled at 1 or 5 postions], 0.39 mM; H2O 93%; D2O 7%
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | CP_chemical_shift_perturpation | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | CAH3a_b_chemical_shift_perturpation | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | intermolecular_PRE | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PIPP, Garrett - chemical shift assignment, chemical shift calculation, peak picking
X-PLOR NIH v2.23, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
NMR spectrometers:
- Bruker DRX 800 MHz
- Bruker Avance 900 MHz
Related Database Links:
| DBJ | BAE27053 BAE27635 BAE28985 BAE30242 BAE31154 BAE33851 BAE35614 BAE37051 BAE40579 BAG35935 BAC31591 |
| GB | AAC00566 AAH16232 AAH85506 AAI66464 EDL07559 AAA52222 AAA52227 AAA87395 AAH02053 AAH24601 AAH12229 AAI67257 AAR96060 |
| REF | NP_001103095 NP_033927 XP_002715812 XP_002918295 XP_003990521 NP_001005903 NP_001080116 NP_001090922 NP_001106915 NP_001127638 NP_081101 XP_006516802 XP_006516803 XP_006516804 XP_006516805 |
| SP | B2GUZ5 P47753 P79136 Q5R507 Q5XI32 Q6EDY6 |
| PDB | |
| EMBL | CAA71401 CAB06626 CAH93159 CAL69434 |
| TPG | DAA32069 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts