Download MendeleyDetermination of Pathways for Oxygen Binding to Human HbA
Birukou, I., Soman, J., Olson, J.S.(null) Thesis
3QJE
Human Hemoglobin A Mutant Beta H63L Deoxy-Form
- PDB DOI: https://doi.org/10.2210/pdb3QJE/pdb
- Classification: OXYGEN TRANSPORT
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2011-01-28 Released: 2011-02-16
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.243
- R-Value Work: 0.199
- R-Value Observed: 0.201
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Hemoglobin subunit alpha | 141 | Homo sapiens | Mutation(s): 0 Gene Names: HBA1, HBA2 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P69905 (Homo sapiens) Explore P69905 Go to UniProtKB: P69905 | |||||
PHAROS: P69905 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P69905 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Hemoglobin subunit beta | 146 | Homo sapiens | Mutation(s): 1 Gene Names: HBB |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P68871 (Homo sapiens) Explore P68871 Go to UniProtKB: P68871 | |||||
PHAROS: P68871 GTEx: ENSG00000244734 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P68871 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | E [auth A], G [auth B], H [auth C], J [auth D] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| SO4 Query on SO4 | F [auth A], I [auth C], K [auth D] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.243
- R-Value Work: 0.199
- R-Value Observed: 0.201
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 62.42 | α = 90 |
| b = 81.38 | β = 99.56 |
| c = 53.52 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CrystalClear | data collection |
| PHENIX | model building |
| PHENIX | refinement |
| d*TREK | data reduction |
| d*TREK | data scaling |
| PHENIX | phasing |
Entry History
Deposition Data
- Released Date: 2011-02-16 Deposition Author(s): Birukou, I., Soman, J., Olson, J.S.
Revision History (Full details and data files)
- Version 1.0: 2011-02-16
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
