BMRB Entry 7125
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7125
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Xu, Y.; Zheng, Y.; Fan, J.S.; Yang, D.. "A new strategy for structure determination of large proteins in solution without deuteration" Nature Methods 3, 931-937 (2006).
PubMed: 17060917
Assembly members:
alpha chain, polymer, 141 residues, Formula weight is not available
beta chain, polymer, 146 residues, Formula weight is not available
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: recombinant technology
Entity Sequences (FASTA):
alpha chain: VLSPADKTNVKAAWGKVGAH
AGEYGAEALERMFLSFPTTK
TYFPHFDLSHGSAQVKGHGK
KVADALTNAVAHVDDMPNAL
SALSDLHAHKLRVDPVNFKL
LSHCLLVTLAAHLPAEFTPA
VHASLDKFLASVSTVLTSKY
R
beta chain: VHLTPEEKSAVTALWGKVNV
DEVGGEALGRLLVVYPWTQR
FFESFGDLSTPDAVMGNPKV
KAHGKKVLGAFSDGLAHLDN
LKGTFATLSELHCDKLHVDP
ENFRLLGNVLVCVLAHHFGK
EFTPPVQAAYQKVVAGVANA
LAHKYH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 856 |
| 15N chemical shifts | 270 |
| 1H chemical shifts | 1635 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | globin subunit alpha, 1 | 1 |
| 2 | globin subunit alpha, 2 | 1 |
| 3 | globin subunit beta, 1 | 2 |
| 4 | globin subunit beta, 2 | 2 |
| 5 | HEME 1 | 3 |
| 6 | HEME 2 | 3 |
| 7 | HEME 3 | 3 |
| 8 | HEME 4 | 3 |
Entities:
Entity 1, globin subunit alpha, 1 141 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, globin subunit beta, 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 3, HEME 1 1 residues - C34 H32 N4 O4 FE1 - Formula weight is not available
| 1 | HEM_red |
Samples:
sample_1: HbCO A, [U-13C; U-15N], 1.2 mM; HbCO A, [U-13C; U-15N], 1.0 mM
conditions_1: pH: 7.0; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 4D 13C, 15N-edited NOESY | sample_1 | not available | conditions_1 |
| 4D 13C, 13C-edited NOESY | sample_1 | not available | conditions_1 |
| 3D MQ-CCH-TOCSY | sample_1 | not available | conditions_1 |
Software:
No software information available
NMR spectrometers:
- Bruker avance 800 MHz
- Bruker avance 500 MHz
Related Database Links:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks