Download MendeleyA triply ligated crystal structure of relaxed state human hemoglobin
Jenkins, J., Musayev, F.N., Abraham, D.J., Safo, M.K.To be published.
3D17
A triply ligated crystal structure of relaxed state human hemoglobin
- PDB DOI: https://doi.org/10.2210/pdb3D17/pdb
- Classification: OXYGEN BINDING
- Organism(s): Homo sapiens
- Mutation(s): No
- Deposited: 2008-05-05 Released: 2008-06-03
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 Å
- R-Value Free: 0.297
- R-Value Work: 0.232
- R-Value Observed: 0.255
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
To be published.
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 |  | |
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): 0 |  | |
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 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | E [auth A], J [auth B], L [auth C], N [auth D] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| PO4 Query on PO4 | H [auth B], I [auth B], M [auth D] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
| MBN Query on MBN | F [auth A] | TOLUENE C7 H8 YXFVVABEGXRONW-UHFFFAOYSA-N |  | ||
| CMO Query on CMO | G [auth A], K [auth B], O [auth D] | CARBON MONOXIDE C O UGFAIRIUMAVXCW-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 Å
- R-Value Free: 0.297
- R-Value Work: 0.232
- R-Value Observed: 0.255
- Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 87.282 | α = 90 |
| b = 87.282 | β = 90 |
| c = 174.466 | γ = 90 |
| Software Name | Purpose |
|---|---|
| d*TREK | data scaling |
| AMoRE | phasing |
| CNS | refinement |
| PDB_EXTRACT | data extraction |
| d*TREK | data reduction |
Entry History
Deposition Data
- Released Date: 2008-06-03 Deposition Author(s): Safo, M.K., Musayev, F.N., Jenkins, J., Abraham, D.J.
Revision History (Full details and data files)
- Version 1.0: 2008-06-03
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-08-30
Changes: Data collection, Database references, Derived calculations, Refinement description
