BMRB Entry 6230
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6230
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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, tetrameric beta-chain from
human adult hemoglobin" Biochim. Biophys. Acta 1701, 75-87 (2004).
Assembly members:
human adult hemoglobin, polymer, 146 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, Formula weight is not available
CYANIDE ION, non-polymer, 26.017 Da.
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 adult hemoglobin: VHLTPEEKSAVTALWGKVNV
DEVGGEALGRLLVVYPWTQR
FFESFGDLSTPDAVMGNPKV
KAHGKKVLGAFSDGLAHLDN
LKGTFATLSELHCDKLHVDP
ENFRLLGNVLVCVLAHHFGK
EFTPPVQAAYQKVVAGVANA
LAHKYH
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 1026 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hemogobin A beta subunit, chain 1 | 1 |
| 2 | hemogobin A beta subunit, chain 2 | 1 |
| 3 | hemogobin A beta subunit, chain 3 | 1 |
| 4 | hemogobin A beta subunit, chain 4 | 1 |
| 5 | heme | 2 |
| 6 | cyanide | 3 |
Entities:
Entity 1, hemogobin A beta subunit, chain 1 146 residues - Formula weight is not available
| 1 | VAL | HIS | LEU | THR | PRO | GLU | GLU | LYS | SER | ALA | ||||
| 2 | VAL | THR | ALA | LEU | TRP | GLY | LYS | VAL | ASN | VAL | ||||
| 3 | ASP | GLU | VAL | GLY | GLY | GLU | ALA | LEU | GLY | ARG | ||||
| 4 | LEU | LEU | VAL | VAL | TYR | PRO | TRP | THR | GLN | ARG | ||||
| 5 | PHE | PHE | GLU | SER | PHE | GLY | ASP | LEU | SER | THR | ||||
| 6 | PRO | ASP | ALA | VAL | MET | GLY | ASN | PRO | LYS | VAL | ||||
| 7 | LYS | ALA | HIS | GLY | LYS | LYS | VAL | LEU | GLY | ALA | ||||
| 8 | PHE | SER | ASP | GLY | LEU | ALA | HIS | LEU | ASP | ASN | ||||
| 9 | LEU | LYS | GLY | THR | PHE | ALA | THR | LEU | SER | GLU | ||||
| 10 | LEU | HIS | CYS | ASP | LYS | LEU | HIS | VAL | ASP | PRO | ||||
| 11 | GLU | ASN | PHE | ARG | LEU | LEU | GLY | ASN | VAL | LEU | ||||
| 12 | VAL | CYS | VAL | LEU | ALA | HIS | HIS | PHE | GLY | LYS | ||||
| 13 | GLU | PHE | THR | PRO | PRO | VAL | GLN | ALA | ALA | TYR | ||||
| 14 | GLN | LYS | VAL | VAL | ALA | GLY | VAL | ALA | ASN | ALA | ||||
| 15 | LEU | ALA | HIS | LYS | TYR | HIS |
Entity 2, heme 1 residues - C34 H32 N4 O4 FE1 - Formula weight is not available
| 1 | HEM_ox |
Entity 3, cyanide - C N - 26.017 Da.
| 1 | CYN |
Samples:
bHb_tetramer_sample: human adult hemoglobin 2 mM
Ex-cond_1: pH*: 8.4; temperature: 303 K
Ex-cond_2: pH*: 5.4; 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 . 500 MHz