BMRB Entry 25005
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25005
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Yan, Si; Polenova, Tatyana; Williams, John; Zhang, Huilan; Hou, Guangjin; Ahmed, Shubbir. "THREE-DIMENSIONAL STRUCTURE OF CAP-GLY DOMAIN ASSEMBLED ON MICROTUBULES DETERMINED BY MAS NMR SPECTROSCOPY" .
Assembly members:
CAP-Gly, polymer, 89 residues, 7572.696 Da.
Bovine_Alpha_Tubulin, polymer, 451 residues, 7572.696 Da.
Bovine_Beta_Tubulin, polymer, 445 residues, Formula weight is not available
TAXOL, non-polymer, 853.906 Da.
GUANOSINE-5'-TRIPHOSPHATE, non-polymer, 523.180 Da.
Natural source: Common Name: Norway rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET28B-HIS6-SMT3
Entity Sequences (FASTA):
CAP-Gly: STEASARPLRVGSRVEVIGK
GHRGTVAYVGATLFATGKWV
GVILDEAKGKNDGTVQGRKY
FTCDEGHGIFVRQSQIQVFE
DGADTTSPE
Bovine_Alpha_Tubulin: MRECISIHVGQAGVQIGNAC
WELYCLEHGIQPDGQMPSDK
TIGGGDDSFNTFFSETGAGK
HVPRAVFVDLEPTVIDEVRT
GTYRQLFHPEQLITGKEDAA
NNYARGHYTIGKEIIDLVLD
RIRKLADQCTGLQGFSVFHS
FGGGTGSGFTSLLMERLSVD
YGKKSKLEFSIYPAPQVSTA
VVEPYNSILTTHTTLEHSDC
AFMVDNEAIYDICRRNLDIE
RPTYTNLNRLIGQIVSSITA
SLRFDGALNVDLTEFQTNLV
PYPRGHFPLATYAPVISAEK
AYHEQLSVAEITNACFEPAN
QMVKCDPRHGKYMACCLLYR
GDVVPKDVNAAIATIKTKRT
IQFVDWCPTGFKVGINYEPP
TVVPGGDLAKVQRAVCMLSN
TTAIAEAWARLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSE
AREDMAALEKDYEEVGVDSV
EGEGEEEGEEY
Bovine_Beta_Tubulin: MREIVHIQAGQCGNQIGAKF
WEVISDEHGIDPTGSYHGDS
DLQLERINVYYNEAAGNKYV
PRAILVDLEPGTMDSVRSGP
FGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVV
RKESESCDCLQGFQLTHSLG
GGTGSGMGTLLISKIREEYP
DRIMNTFSVVPSPKVSDTVV
EPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTP
TYGDLNHLVSATMSGVTTCL
RFPGQLNADLRKLAVNMVPF
PRLHFFMPGFAPLTSRGSQQ
YRALTVPELTQQMFDAKNMM
AACDPRHGRYLTVAAVFRGR
MSMKEVDEQMLNVQNKNSSY
FVEWIPNNVKTAVCDIPPRG
LKMSATFIGNSTAIQELFKR
ISEQFTAMFRRKAFLHWYTG
EGMDEMEFTEAESNMNDLVS
EYQQYQDATADEQGEFEEEG
EEDEA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 243 |
| 15N chemical shifts | 69 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CAP-Gly | 1 |
| 2 | Bovine Alpha Tubulin | 2 |
| 3 | Bovine Beta Tubulin | 3 |
| 4 | Taxol | 4 |
| 5 | GTP | 5 |
Entities:
Entity 1, CAP-Gly 89 residues - 7572.696 Da.
| 1 | SER | THR | GLU | ALA | SER | ALA | ARG | PRO | LEU | ARG | ||||
| 2 | VAL | GLY | SER | ARG | VAL | GLU | VAL | ILE | GLY | LYS | ||||
| 3 | GLY | HIS | ARG | GLY | THR | VAL | ALA | TYR | VAL | GLY | ||||
| 4 | ALA | THR | LEU | PHE | ALA | THR | GLY | LYS | TRP | VAL | ||||
| 5 | GLY | VAL | ILE | LEU | ASP | GLU | ALA | LYS | GLY | LYS | ||||
| 6 | ASN | ASP | GLY | THR | VAL | GLN | GLY | ARG | LYS | TYR | ||||
| 7 | PHE | THR | CYS | ASP | GLU | GLY | HIS | GLY | ILE | PHE | ||||
| 8 | VAL | ARG | GLN | SER | GLN | ILE | GLN | VAL | PHE | GLU | ||||
| 9 | ASP | GLY | ALA | ASP | THR | THR | SER | PRO | GLU |
Entity 2, Bovine Alpha Tubulin 451 residues - 7572.696 Da.
| 1 | MET | ARG | GLU | CYS | ILE | SER | ILE | HIS | VAL | GLY | ||||
| 2 | GLN | ALA | GLY | VAL | GLN | ILE | GLY | ASN | ALA | CYS | ||||
| 3 | TRP | GLU | LEU | TYR | CYS | LEU | GLU | HIS | GLY | ILE | ||||
| 4 | GLN | PRO | ASP | GLY | GLN | MET | PRO | SER | ASP | LYS | ||||
| 5 | THR | ILE | GLY | GLY | GLY | ASP | ASP | SER | PHE | ASN | ||||
| 6 | THR | PHE | PHE | SER | GLU | THR | GLY | ALA | GLY | LYS | ||||
| 7 | HIS | VAL | PRO | ARG | ALA | VAL | PHE | VAL | ASP | LEU | ||||
| 8 | GLU | PRO | THR | VAL | ILE | ASP | GLU | VAL | ARG | THR | ||||
| 9 | GLY | THR | TYR | ARG | GLN | LEU | PHE | HIS | PRO | GLU | ||||
| 10 | GLN | LEU | ILE | THR | GLY | LYS | GLU | ASP | ALA | ALA | ||||
| 11 | ASN | ASN | TYR | ALA | ARG | GLY | HIS | TYR | THR | ILE | ||||
| 12 | GLY | LYS | GLU | ILE | ILE | ASP | LEU | VAL | LEU | ASP | ||||
| 13 | ARG | ILE | ARG | LYS | LEU | ALA | ASP | GLN | CYS | THR | ||||
| 14 | GLY | LEU | GLN | GLY | PHE | SER | VAL | PHE | HIS | SER | ||||
| 15 | PHE | GLY | GLY | GLY | THR | GLY | SER | GLY | PHE | THR | ||||
| 16 | SER | LEU | LEU | MET | GLU | ARG | LEU | SER | VAL | ASP | ||||
| 17 | TYR | GLY | LYS | LYS | SER | LYS | LEU | GLU | PHE | SER | ||||
| 18 | ILE | TYR | PRO | ALA | PRO | GLN | VAL | SER | THR | ALA | ||||
| 19 | VAL | VAL | GLU | PRO | TYR | ASN | SER | ILE | LEU | THR | ||||
| 20 | THR | HIS | THR | THR | LEU | GLU | HIS | SER | ASP | CYS | ||||
| 21 | ALA | PHE | MET | VAL | ASP | ASN | GLU | ALA | ILE | TYR | ||||
| 22 | ASP | ILE | CYS | ARG | ARG | ASN | LEU | ASP | ILE | GLU | ||||
| 23 | ARG | PRO | THR | TYR | THR | ASN | LEU | ASN | ARG | LEU | ||||
| 24 | ILE | GLY | GLN | ILE | VAL | SER | SER | ILE | THR | ALA | ||||
| 25 | SER | LEU | ARG | PHE | ASP | GLY | ALA | LEU | ASN | VAL | ||||
| 26 | ASP | LEU | THR | GLU | PHE | GLN | THR | ASN | LEU | VAL | ||||
| 27 | PRO | TYR | PRO | ARG | GLY | HIS | PHE | PRO | LEU | ALA | ||||
| 28 | THR | TYR | ALA | PRO | VAL | ILE | SER | ALA | GLU | LYS | ||||
| 29 | ALA | TYR | HIS | GLU | GLN | LEU | SER | VAL | ALA | GLU | ||||
| 30 | ILE | THR | ASN | ALA | CYS | PHE | GLU | PRO | ALA | ASN | ||||
| 31 | GLN | MET | VAL | LYS | CYS | ASP | PRO | ARG | HIS | GLY | ||||
| 32 | LYS | TYR | MET | ALA | CYS | CYS | LEU | LEU | TYR | ARG | ||||
| 33 | GLY | ASP | VAL | VAL | PRO | LYS | ASP | VAL | ASN | ALA | ||||
| 34 | ALA | ILE | ALA | THR | ILE | LYS | THR | LYS | ARG | THR | ||||
| 35 | ILE | GLN | PHE | VAL | ASP | TRP | CYS | PRO | THR | GLY | ||||
| 36 | PHE | LYS | VAL | GLY | ILE | ASN | TYR | GLU | PRO | PRO | ||||
| 37 | THR | VAL | VAL | PRO | GLY | GLY | ASP | LEU | ALA | LYS | ||||
| 38 | VAL | GLN | ARG | ALA | VAL | CYS | MET | LEU | SER | ASN | ||||
| 39 | THR | THR | ALA | ILE | ALA | GLU | ALA | TRP | ALA | ARG | ||||
| 40 | LEU | ASP | HIS | LYS | PHE | ASP | LEU | MET | TYR | ALA | ||||
| 41 | LYS | ARG | ALA | PHE | VAL | HIS | TRP | TYR | VAL | GLY | ||||
| 42 | GLU | GLY | MET | GLU | GLU | GLY | GLU | PHE | SER | GLU | ||||
| 43 | ALA | ARG | GLU | ASP | MET | ALA | ALA | LEU | GLU | LYS | ||||
| 44 | ASP | TYR | GLU | GLU | VAL | GLY | VAL | ASP | SER | VAL | ||||
| 45 | GLU | GLY | GLU | GLY | GLU | GLU | GLU | GLY | GLU | GLU | ||||
| 46 | TYR |
Entity 3, Bovine Beta Tubulin 445 residues - Formula weight is not available
| 1 | MET | ARG | GLU | ILE | VAL | HIS | ILE | GLN | ALA | GLY | ||||
| 2 | GLN | CYS | GLY | ASN | GLN | ILE | GLY | ALA | LYS | PHE | ||||
| 3 | TRP | GLU | VAL | ILE | SER | ASP | GLU | HIS | GLY | ILE | ||||
| 4 | ASP | PRO | THR | GLY | SER | TYR | HIS | GLY | ASP | SER | ||||
| 5 | ASP | LEU | GLN | LEU | GLU | ARG | ILE | ASN | VAL | TYR | ||||
| 6 | TYR | ASN | GLU | ALA | ALA | GLY | ASN | LYS | TYR | VAL | ||||
| 7 | PRO | ARG | ALA | ILE | LEU | VAL | ASP | LEU | GLU | PRO | ||||
| 8 | GLY | THR | MET | ASP | SER | VAL | ARG | SER | GLY | PRO | ||||
| 9 | PHE | GLY | GLN | ILE | PHE | ARG | PRO | ASP | ASN | PHE | ||||
| 10 | VAL | PHE | GLY | GLN | SER | GLY | ALA | GLY | ASN | ASN | ||||
| 11 | TRP | ALA | LYS | GLY | HIS | TYR | THR | GLU | GLY | ALA | ||||
| 12 | GLU | LEU | VAL | ASP | SER | VAL | LEU | ASP | VAL | VAL | ||||
| 13 | ARG | LYS | GLU | SER | GLU | SER | CYS | ASP | CYS | LEU | ||||
| 14 | GLN | GLY | PHE | GLN | LEU | THR | HIS | SER | LEU | GLY | ||||
| 15 | GLY | GLY | THR | GLY | SER | GLY | MET | GLY | THR | LEU | ||||
| 16 | LEU | ILE | SER | LYS | ILE | ARG | GLU | GLU | TYR | PRO | ||||
| 17 | ASP | ARG | ILE | MET | ASN | THR | PHE | SER | VAL | VAL | ||||
| 18 | PRO | SER | PRO | LYS | VAL | SER | ASP | THR | VAL | VAL | ||||
| 19 | GLU | PRO | TYR | ASN | ALA | THR | LEU | SER | VAL | HIS | ||||
| 20 | GLN | LEU | VAL | GLU | ASN | THR | ASP | GLU | THR | TYR | ||||
| 21 | CYS | ILE | ASP | ASN | GLU | ALA | LEU | TYR | ASP | ILE | ||||
| 22 | CYS | PHE | ARG | THR | LEU | LYS | LEU | THR | THR | PRO | ||||
| 23 | THR | TYR | GLY | ASP | LEU | ASN | HIS | LEU | VAL | SER | ||||
| 24 | ALA | THR | MET | SER | GLY | VAL | THR | THR | CYS | LEU | ||||
| 25 | ARG | PHE | PRO | GLY | GLN | LEU | ASN | ALA | ASP | LEU | ||||
| 26 | ARG | LYS | LEU | ALA | VAL | ASN | MET | VAL | PRO | PHE | ||||
| 27 | PRO | ARG | LEU | HIS | PHE | PHE | MET | PRO | GLY | PHE | ||||
| 28 | ALA | PRO | LEU | THR | SER | ARG | GLY | SER | GLN | GLN | ||||
| 29 | TYR | ARG | ALA | LEU | THR | VAL | PRO | GLU | LEU | THR | ||||
| 30 | GLN | GLN | MET | PHE | ASP | ALA | LYS | ASN | MET | MET | ||||
| 31 | ALA | ALA | CYS | ASP | PRO | ARG | HIS | GLY | ARG | TYR | ||||
| 32 | LEU | THR | VAL | ALA | ALA | VAL | PHE | ARG | GLY | ARG | ||||
| 33 | MET | SER | MET | LYS | GLU | VAL | ASP | GLU | GLN | MET | ||||
| 34 | LEU | ASN | VAL | GLN | ASN | LYS | ASN | SER | SER | TYR | ||||
| 35 | PHE | VAL | GLU | TRP | ILE | PRO | ASN | ASN | VAL | LYS | ||||
| 36 | THR | ALA | VAL | CYS | ASP | ILE | PRO | PRO | ARG | GLY | ||||
| 37 | LEU | LYS | MET | SER | ALA | THR | PHE | ILE | GLY | ASN | ||||
| 38 | SER | THR | ALA | ILE | GLN | GLU | LEU | PHE | LYS | ARG | ||||
| 39 | ILE | SER | GLU | GLN | PHE | THR | ALA | MET | PHE | ARG | ||||
| 40 | ARG | LYS | ALA | PHE | LEU | HIS | TRP | TYR | THR | GLY | ||||
| 41 | GLU | GLY | MET | ASP | GLU | MET | GLU | PHE | THR | GLU | ||||
| 42 | ALA | GLU | SER | ASN | MET | ASN | ASP | LEU | VAL | SER | ||||
| 43 | GLU | TYR | GLN | GLN | TYR | GLN | ASP | ALA | THR | ALA | ||||
| 44 | ASP | GLU | GLN | GLY | GLU | PHE | GLU | GLU | GLU | GLY | ||||
| 45 | GLU | GLU | ASP | GLU | ALA |
Entity 4, Taxol - C47 H51 N O14 - 853.906 Da.
| 1 | TA1 |
Entity 5, GTP - C10 H16 N5 O14 P3 - 523.180 Da.
| 1 | GTP |
Samples:
sample_1: CAP-Gly, [U-100% 13C; U-100% 15N], 1.4 – 2.0 mg; Bovine Alpha Tubulin 5 mg; Bovine Beta Tubulin 5 mg; Taxol 5 uM; GTP 1 mM; GDP mM; H2O 100%
sample_2: CAP-Gly, [2-13C]-glucose; U-100% 15N, 1.4 – 2.0 mg; Bovine Alpha Tubulin 5 mg; Bovine Beta Tubulin 5 mg; Taxol 5 uM; GTP 1 mM; GDP mM; H2O 100%
sample_3: CAP-Gly, [1,3-13C]-glucose; U-100% 15N, 1.4 – 2.0 mg; Bovine Alpha Tubulin 5 mg; Bovine Beta Tubulin 5 mg; Taxol 5 uM; GTP 1 mM; GDP mM; H2O 100%
sample_conditions_1: ionic strength: 0.0737 M; pH: 6.0; pressure: 1 atm; temperature: 244 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D CORD | sample_1 | solid | sample_conditions_1 |
| 2D CORD | sample_1 | solid | sample_conditions_1 |
| 2D CORD | sample_1 | solid | sample_conditions_1 |
| 2D NCACX | sample_1 | solid | sample_conditions_1 |
| 2D NCACX | sample_3 | solid | sample_conditions_1 |
| 2D PAIN-CP | sample_2 | solid | sample_conditions_1 |
| 2D NCOCX | sample_1 | solid | sample_conditions_1 |
| 3D NCACX | sample_1 | solid | sample_conditions_1 |
| 3D NCOCX | sample_1 | solid | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, peak picking
TALOS vTALOS+, Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax - torsion angle prediction
X-PLOR_NIH v2.35, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
NMR spectrometers:
- Bruker Avance 850 MHz
Related Database Links:
| BMRB | 17937 17938 19025 19031 |
| PDB | |
| DBJ | BAE34241 BAE37079 BAE42418 BAE42912 BAE87998 |
| EMBL | CAA44091 CAA67333 CAE45882 CAH10572 CAH10575 |
| GB | AAB57773 AAD03694 AAD55811 AAH66061 AAI42510 |
| REF | NP_001092404 NP_001127253 NP_001128512 NP_001177765 NP_001177766 |
| SP | O08788 P28023 Q14203 |
| TPG | DAA24857 |
| AlphaFold | O08788 P28023 Q14203 P28023 |