BMRB Entry 17582
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR17582
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Title: 1H, 13C, and 15N assignments of cataract-related variant gamma-S-G18V crystallin PubMed: 21244846
Deposition date: 2011-04-08 Original release date: 2011-05-12
Authors: Brubaker, William; Martin, Rachel
Citation: Brubaker, William; Freites, J. Alfredo; Golchert, Kory; Shapiro, Rebecca; Morikis, Vasilios; Tobias, Douglas; Martin, Rachel. "Separating instability from aggregation propensity in S-crystallin variants." Biophys. J. 100, 498-506 (2011).
Assembly members:
gamma-S-G18V, polymer, 178 residues, 20974.6 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):
gamma-S-G18V: GSKTGTKITFYEDKNFQVRR
YDCDCDCADFHTYLSRCNSI
KVEGGTWAVYERPNFAGYMY
ILPQGEYPEYQRWMGLNDRL
SSCRAVHLPSGGQYKIQIFE
KGDFSGQMYETTEDCPSIME
QFHMREIHSCKVLEGVWIFY
ELPNYRGRQYLLDKKEYRKP
IDWGAASPAVQSFRRIVE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 718 |
| 15N chemical shifts | 191 |
| 1H chemical shifts | 1092 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | gamma-S-G18V | 1 |
Entities:
Entity 1, gamma-S-G18V 178 residues - 20974.6 Da.
Full length human gamma-S crystallin containing the G18V substitution, and an M1G substitution.
| 1 | GLY | SER | LYS | THR | GLY | THR | LYS | ILE | THR | PHE | ||||
| 2 | TYR | GLU | ASP | LYS | ASN | PHE | GLN | VAL | ARG | ARG | ||||
| 3 | TYR | ASP | CYS | ASP | CYS | ASP | CYS | ALA | ASP | PHE | ||||
| 4 | HIS | THR | TYR | LEU | SER | ARG | CYS | ASN | SER | ILE | ||||
| 5 | LYS | VAL | GLU | GLY | GLY | THR | TRP | ALA | VAL | TYR | ||||
| 6 | GLU | ARG | PRO | ASN | PHE | ALA | GLY | TYR | MET | TYR | ||||
| 7 | ILE | LEU | PRO | GLN | GLY | GLU | TYR | PRO | GLU | TYR | ||||
| 8 | GLN | ARG | TRP | MET | GLY | LEU | ASN | ASP | ARG | LEU | ||||
| 9 | SER | SER | CYS | ARG | ALA | VAL | HIS | LEU | PRO | SER | ||||
| 10 | GLY | GLY | GLN | TYR | LYS | ILE | GLN | ILE | PHE | GLU | ||||
| 11 | LYS | GLY | ASP | PHE | SER | GLY | GLN | MET | TYR | GLU | ||||
| 12 | THR | THR | GLU | ASP | CYS | PRO | SER | ILE | MET | GLU | ||||
| 13 | GLN | PHE | HIS | MET | ARG | GLU | ILE | HIS | SER | CYS | ||||
| 14 | LYS | VAL | LEU | GLU | GLY | VAL | TRP | ILE | PHE | TYR | ||||
| 15 | GLU | LEU | PRO | ASN | TYR | ARG | GLY | ARG | GLN | TYR | ||||
| 16 | LEU | LEU | ASP | LYS | LYS | GLU | TYR | ARG | LYS | PRO | ||||
| 17 | ILE | ASP | TRP | GLY | ALA | ALA | SER | PRO | ALA | VAL | ||||
| 18 | GLN | SER | PHE | ARG | ARG | ILE | VAL | GLU |
Samples:
gS-G18V: gamma-S-G18V, [U-100% 13C; U-100% 15N], 1.50 mM; acetic acid 10 mM; sodium azide 0.05%; D2O, [U-2H], 10%; TSP, [2,2,3,3-d4], 2 mM
sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | gS-G18V | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | gS-G18V | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | gS-G18V | isotropic | sample_conditions_1 |
| 3D HNCO | gS-G18V | isotropic | sample_conditions_1 |
| 3D HNCACB | gS-G18V | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | gS-G18V | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | gS-G18V | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | gS-G18V | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | gS-G18V | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | gS-G18V | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | gS-G18V | isotropic | sample_conditions_1 |
Software:
VNMR, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Varian INOVA 800 MHz
Related Database Links:
| BMRB | 17576 |
| PDB | |
| DBJ | BAG36855 |
| GB | AAD45901 AAF72490 AAH69478 AAH70241 ADQ32938 |
| REF | NP_060011 XP_001092090 XP_002758251 XP_003256655 XP_003894751 |
| SP | P22914 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts