BMRB Entry 5809
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5809
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Tran, Anh-Tuyet; Kolczak, Urszula; La Mar, Gerd. "Solution 1H NMR Study of the Active Site Molecular Structure and Magnetic
Properties of the Cyanomet Complex of the Isolated Alpha-chain from Human
Hemoglobin A" Biochim. Biophys. Acta 1650, 59-72 (2003).
PubMed: 12922170
Assembly members:
Human hemoglobin A, polymer, 141 residues, Formula weight is not available
CYANIDE ION, non-polymer, 26.017 Da.
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 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: purified from the natural source
Entity Sequences (FASTA):
Human hemoglobin A: VLSPADKTNVKAAWGKVGAH
AGEYGAEALERMFLSFPTTK
TYFPHFDLSHGSAQVKGHGK
KVADALTNAVAHVDDMPNAL
SALSDLHAHKLRVDPVNFKL
LSHCLLVTLAAHLPAEFTPA
VHASLDKFLASVSTVLTSKY
R
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 964 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hemoglobin A alpha subunit1 | 1 |
| 2 | hemoglobin A alpha subunit2 | 1 |
| 3 | CYANIDE GROUP | 2 |
| 4 | PROTOPORPHYRIN IX CONTAINING FE | 3 |
Entities:
Entity 1, hemoglobin A alpha subunit1 141 residues - Formula weight is not available
| 1 | VAL | LEU | SER | PRO | ALA | ASP | LYS | THR | ASN | VAL | ||||
| 2 | LYS | ALA | ALA | TRP | GLY | LYS | VAL | GLY | ALA | HIS | ||||
| 3 | ALA | GLY | GLU | TYR | GLY | ALA | GLU | ALA | LEU | GLU | ||||
| 4 | ARG | MET | PHE | LEU | SER | PHE | PRO | THR | THR | LYS | ||||
| 5 | THR | TYR | PHE | PRO | HIS | PHE | ASP | LEU | SER | HIS | ||||
| 6 | GLY | SER | ALA | GLN | VAL | LYS | GLY | HIS | GLY | LYS | ||||
| 7 | LYS | VAL | ALA | ASP | ALA | LEU | THR | ASN | ALA | VAL | ||||
| 8 | ALA | HIS | VAL | ASP | ASP | MET | PRO | ASN | ALA | LEU | ||||
| 9 | SER | ALA | LEU | SER | ASP | LEU | HIS | ALA | HIS | LYS | ||||
| 10 | LEU | ARG | VAL | ASP | PRO | VAL | ASN | PHE | LYS | LEU | ||||
| 11 | LEU | SER | HIS | CYS | LEU | LEU | VAL | THR | LEU | ALA | ||||
| 12 | ALA | HIS | LEU | PRO | ALA | GLU | PHE | THR | PRO | ALA | ||||
| 13 | VAL | HIS | ALA | SER | LEU | ASP | LYS | PHE | LEU | ALA | ||||
| 14 | SER | VAL | SER | THR | VAL | LEU | THR | SER | LYS | TYR | ||||
| 15 | ARG |
Entity 2, CYANIDE GROUP - C N - 26.017 Da.
| 1 | CYN |
Entity 3, PROTOPORPHYRIN IX CONTAINING FE 1 residues - C34 H32 N4 O4 FE1 - Formula weight is not available
| 1 | HEM_ox |
Samples:
sample1: Human hemoglobin A 2 mM
Ex-cond_1: pH: 5.4; temperature: 303 K
Ex-cond_2: pH: 8.4; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| WEFT | not available | not available | not available |
| 1H NOESY | not available | not available | not available |
| 1H WEFT-NOESY | not available | not available | not available |
| 1H TOCSY | not available | not available | not available |
Software:
No software information available
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
- GE Omega 600 MHz