BMRB Entry 6683
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6683
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Title: Backbone Resonance Assignments of Human Normal Adult Hemoglobin in the Deoxy Form PubMed: 16703421
Deposition date: 2005-06-10 Original release date: 2007-06-05
Authors: Sahu, Sarata; Simplaceanu, Virgil; Ho, Nancy; Giovannelli, Janel; Ho, Chien
Citation: Sahu, Sarata; Simplaceanu, Virgil; Ho, Nancy; Giovannelli, Janel; Ho, Chien. "Backbone Resonance Assignment of Human Adult Hemoglobin in the Deoxy Form" J. Biomol. NMR 36, 1-1 (2006).
Assembly members:
deoxy-Hb A alpha, polymer, 141 residues, 64000 Da.
deoxy-Hb A beta, polymer, 146 residues, 64000 Da.
HEM, non-polymer, 616.487 Da.
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):
deoxy-Hb A alpha: VLSPADKTNVKAAWGKVGAH
AGEYGAEALERMFLSFPTTK
TYFPHFDLSHGSAQVKGHGK
KVADALTNAVAHVDDMPNAL
SALSDLHAHKLRVDPVNFKL
LSHCLLVTLAAHLPAEFTPA
VHASLDKFLASVSTVLTSKY
R
deoxy-Hb A beta: VHLTPEEKSAVTALWGKVNV
DEVGGEALGRLLVVYPWTQR
FFESFGDLSTPDAVMGNPKV
KAHGKKVLGAFSDGLAHLDN
LKGTFATLSELHCDKLHVDP
ENFRLLGNVLVCVLAHHFGK
EFTPPVQAAYQKVVAGVANA
LAHKYH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 694 |
| 15N chemical shifts | 222 |
| 1H chemical shifts | 222 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | globin subunit alpha one | 1 |
| 2 | globin subunit alpha two | 1 |
| 3 | globin subunit beta one | 2 |
| 4 | globin subunit beta two | 2 |
| 5 | heme, 1 | 3 |
| 6 | heme, 2 | 3 |
| 7 | heme, 3 | 3 |
| 8 | heme, 4 | 3 |
Entities:
Entity 1, globin subunit alpha one 141 residues - 64000 Da.
| 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, globin subunit beta one 146 residues - 64000 Da.
| 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 3, heme, 1 - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Samples:
deoxy-Hb_A_1: alpha_chain, [U-13C; U-15N; U-2H], 2 mM; beta_chain 2 mM; heme 4 mM
deoxy-Hb_A_2: alpha_chain 2 mM; beta_chain, [U-13C; U-15N; U-2H], 2 mM; heme 4 mM
deoxy-Hb_A_3: alpha_chain, [U-15N; U-2H], 2 mM; beta_chain 2 mM; heme 4 mM
deoxy-Hb_A_4: alpha_chain 2 mM; beta_chain, [U-15N; U-2H], 2 mM; heme 2 mM
conditions_1: ionic strength: 0.1 M; pH: 7; temperature: 302 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| (1H_15N)-TROSY_HSQC | not available | not available | conditions_1 |
| TROSY-HNCA | not available | not available | conditions_1 |
| TROSY-HNCOCA | not available | not available | conditions_1 |
| TROSY-HNCACB | not available | not available | conditions_1 |
| TROSY-HN(CO)CACB | not available | not available | conditions_1 |
| TROSY-HNCO | not available | not available | conditions_1 |
| 3D HSQC-NOESY-TROSY | not available | not available | conditions_1 |
Software:
No software information available
NMR spectrometers:
- Bruker Avance_DRX 600 MHz
Related Database Links:
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts