BMRB Entry 4828
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4828
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Shimba, Nobuhisa; Kariya, Eri; Tate, Shin-ichi; Kaji, Hiroyuki; Kainosho, Masatsune. "Structural comparison between WT and P25S human cystatin A by NMR spectroscopy.
Does this mutation affect the alpha-helix conformation?" J. Struct. Func. Genomics. 1, 26-42 (2001).
Assembly members:
cystain A, polymer, 97 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
cystain A: IPGGLSEAKPATPEIQEIVD
KVKSQLEEKTNETYGKLEAV
QYKTQVVAGTNYYIKVRAGD
NKYLHLKVFKSLPGQNEDLV
LTGYQVDKNKDDELTGF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 275 |
| 15N chemical shifts | 103 |
| 1H chemical shifts | 642 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cystatin A P25S | 1 |
Entities:
Entity 1, cystatin A P25S 97 residues - Formula weight is not available
| 1 | ILE | PRO | GLY | GLY | LEU | SER | GLU | ALA | LYS | PRO | ||||
| 2 | ALA | THR | PRO | GLU | ILE | GLN | GLU | ILE | VAL | ASP | ||||
| 3 | LYS | VAL | LYS | SER | GLN | LEU | GLU | GLU | LYS | THR | ||||
| 4 | ASN | GLU | THR | TYR | GLY | LYS | LEU | GLU | ALA | VAL | ||||
| 5 | GLN | TYR | LYS | THR | GLN | VAL | VAL | ALA | GLY | THR | ||||
| 6 | ASN | TYR | TYR | ILE | LYS | VAL | ARG | ALA | GLY | ASP | ||||
| 7 | ASN | LYS | TYR | LEU | HIS | LEU | LYS | VAL | PHE | LYS | ||||
| 8 | SER | LEU | PRO | GLY | GLN | ASN | GLU | ASP | LEU | VAL | ||||
| 9 | LEU | THR | GLY | TYR | GLN | VAL | ASP | LYS | ASN | LYS | ||||
| 10 | ASP | ASP | GLU | LEU | THR | GLY | PHE |
Samples:
sample_1: cystain A, [U-13C; U-15N], 1.4 mM
sample_2: cystain A, [U-15N], 1.4 mM
sample_3: cystain A 1.4 mM
Ex-cond_1: ionic strength: 0.01 M; pH: 4.0; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | not available | not available | Ex-cond_1 |
| 1H-1H HOHAHA | not available | not available | Ex-cond_1 |
| HNCO | not available | not available | Ex-cond_1 |
| HNCA | not available | not available | Ex-cond_1 |
| CBCA(CO)NH | not available | not available | Ex-cond_1 |
| CBCANH | not available | not available | Ex-cond_1 |
| HBHA(CO)NH | not available | not available | Ex-cond_1 |
| HCCH-TOCSY | not available | not available | Ex-cond_1 |
| HCCH-COSY | not available | not available | Ex-cond_1 |
Software:
NMRPipe -
PIPP -
NMR spectrometers:
- Bruker DRX 500 MHz
- Bruker DRX 800 MHz
Related Database Links:
| BMRB | 4827 |
| PDB | |
| DBJ | BAA00307 BAA13609 BAA87858 BAF83997 |
| EMBL | CAA29398 CAG33195 |
| GB | AAA72785 AAH10379 AIC54242 EAW79489 |
| REF | NP_005204 XP_001166441 XP_004036218 |
| SP | P01040 |
| AlphaFold | P01040 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks