BMRB Entry 18351
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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/BMR18351
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Ren, Qin; Kwan, Ann; Sunde, Margaret. "Solution structure and interface-driven self-assembly of NC2, a new member of the Class II hydrophobin proteins." Proteins ., .-. (2013).
PubMed: 24218020
Assembly members:
nc2, polymer, 80 residues, 8187.3024 Da.
Natural source: Common Name: Neurospora crassa Taxonomy ID: 5141 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Neurospora crassa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pHUE
Entity Sequences (FASTA):
nc2: SPAAMERQVPYTPCSGLYGT
AQCCATDVLGVADLDCANPP
ATLANATHFESTCAAIGQRA
RCCVLPILGQDILCQTPAGL
- assigned_chemical_shifts
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 327 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 536 |
| T1 relaxation values | 71 |
| T2 relaxation values | 71 |
| heteronuclear NOE values | 71 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | nc2 | 1 |
Entities:
Entity 1, nc2 80 residues - 8187.3024 Da.
| 1 | SER | PRO | ALA | ALA | MET | GLU | ARG | GLN | VAL | PRO | |
| 2 | TYR | THR | PRO | CYS | SER | GLY | LEU | TYR | GLY | THR | |
| 3 | ALA | GLN | CYS | CYS | ALA | THR | ASP | VAL | LEU | GLY | |
| 4 | VAL | ALA | ASP | LEU | ASP | CYS | ALA | ASN | PRO | PRO | |
| 5 | ALA | THR | LEU | ALA | ASN | ALA | THR | HIS | PHE | GLU | |
| 6 | SER | THR | CYS | ALA | ALA | ILE | GLY | GLN | ARG | ALA | |
| 7 | ARG | CYS | CYS | VAL | LEU | PRO | ILE | LEU | GLY | GLN | |
| 8 | ASP | ILE | LEU | CYS | GLN | THR | PRO | ALA | GLY | LEU |
Samples:
unlabeled: nc2 0.3 mM; DSS 0.3 mM; Sodium phosphate 20.0 mM
13C15N_01: nc2, [U-100% 13C; U-100% 15N], 0.35 mM; Sodium phosphate 20.00 mM; DSS 0.30 mM
sample_new_1: Sodium phosphate 20 mM; nc2, [U-13C; U-15N], 0.3 mM
13C15N_03: nc2, [U-100% 13C; U-100% 15N], 0.3 mM; Sodium phosphate 20.0 mM; DSS 0.3 mM
13C15N_02: nc2, [U-100% 13C; U-100% 15N], 0.3 mM; Sodium phosphate 20.0 mM; DSS 0.3 mM
15N: nc2, [U-100% 15N], 0.3 mM; DSS 0.3 mM; Sodium phosphate 20.0 mM
T2-1: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-2: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-3: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-4: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-5: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-6: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-7: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-8: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-9: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-10: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-11: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-12: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-13: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-14: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T2-15: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-1: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-2: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-3: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-4: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-5: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-6: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-7: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-8: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-9: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-10: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-11: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
T1-12: ionic strength: 20.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K
CondSet1: ionic strength: 20.000 mM; pH: 6.000; temperature: 283.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| T2:1 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-1 |
| T2:2 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-2 |
| T2:3 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-3 |
| T2:4 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-4 |
| T2:5 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-5 |
| T2:6 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-6 |
| T2:7 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-7 |
| T2:8 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-8 |
| T2:9 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-9 |
| T2:10 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-10 |
| T2:11 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-11 |
| T2:12 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-12 |
| T2:13 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-13 |
| T2:14 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-14 |
| T2:15 (H[n[T2(N)]]) | 13C15N_03 | isotropic | T2-15 |
| T1:1 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-1 |
| T1:2 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-2 |
| T1:3 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-3 |
| T1:4 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-4 |
| T1:5 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-5 |
| T1:6 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-6 |
| T1:7 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-7 |
| T1:8 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-8 |
| T1:9 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-9 |
| T1:10 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-10 |
| T1:11 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-11 |
| T1:12 (H[n[T1(N)]]) | 13C15N_03 | isotropic | T1-12 |
| htNOE 1 (H[n[Trho(N)]]) | 13C15N_03 | isotropic | CondSet1 |
| htNOE 2 (H[n[Trho(N)]]) | 13C15N_03 | isotropic | CondSet1 |
| 3D 1H-13C NOESY | 13C15N_02 | isotropic | CondSet1 |
| 3D 1H-13C NOESY | 13C15N_02 | isotropic | CondSet1 |
| 3D 1H-15N NOESY | 15N | isotropic | CondSet1 |
| 2D 1H-1H NOESY | unlabeled | isotropic | CondSet1 |
| 3D HNCO | 13C15N_01 | isotropic | CondSet1 |
| HNcaCO (H[N[ca[CO]]]) | 13C15N_01 | isotropic | CondSet1 |
| T2 | sample_new_1 | solution | CondSet1 |
| T1 | sample_new_1 | solution | CondSet1 |
| HTNOE 1 | sample_new_1 | solution | CondSet1 |
Software:
ARIA v2.3, BENJAMIN BARDIAUX, MICHAEL HABECK, JENS - solution structure and refinement
AutoDep v4.3, PDBe - collection
ANALYSIS v2.1, CCPN - peak picking and data analysis
DANGLE v1.1, Cheung, Maguire, Stevens and Broadhurst - Secondary structure prediction
MOLMOL_2K.2 vany, Koradi, Billeter and Wuthrich - chemical shift assignment
Molmol v2K.2, Koradi, Billeter and Wuthrich - data analysis
MolProbity v3.19, Ian W. Davis, Vincent B. Chen, Robert M. Immormino, Jeff J. Headd, W. Bryan Arendall, J. Michael Word, David C. Richardson - Validation
ProcheckNMR v3.4, Laskowski and MacArthur - structure validation
TOPSPIN v2.1, Bruker Biospin - data collection
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker AVANCE 800 MHz
Related Database Links:
| GenBank | TmpAcc |
| UNP | Q7S3P5_NEUCR |
| PDB | |
| GB | EAA30046 KHE86439 |
| REF | XP_959282 |
| AlphaFold | Q7S3P5 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks