+Open data
-Basic information
Entry | Database: PDB / ID: 1hab | ||||||
---|---|---|---|---|---|---|---|
Title | CROSSLINKED HAEMOGLOBIN | ||||||
Components | (HEMOGLOBIN A) x 2 | ||||||
Keywords | OXYGEN TRANSPORT / HEME / RESPIRATORY PROTEIN / ERYTHROCYTE | ||||||
Function / homology | Function and homology information nitric oxide transport / hemoglobin alpha binding / cellular oxidant detoxification / hemoglobin binding / haptoglobin-hemoglobin complex / renal absorption / organic acid binding / hemoglobin complex / oxygen transport / Scavenging of heme from plasma ...nitric oxide transport / hemoglobin alpha binding / cellular oxidant detoxification / hemoglobin binding / haptoglobin-hemoglobin complex / renal absorption / organic acid binding / hemoglobin complex / oxygen transport / Scavenging of heme from plasma / endocytic vesicle lumen / blood vessel diameter maintenance / platelet aggregation / hydrogen peroxide catabolic process / oxygen carrier activity / Late endosomal microautophagy / carbon dioxide transport / Heme signaling / Erythrocytes take up oxygen and release carbon dioxide / Erythrocytes take up carbon dioxide and release oxygen / response to hydrogen peroxide / Cytoprotection by HMOX1 / oxygen binding / regulation of blood pressure / Chaperone Mediated Autophagy / positive regulation of nitric oxide biosynthetic process / tertiary granule lumen / Factors involved in megakaryocyte development and platelet production / ficolin-1-rich granule lumen / blood microparticle / iron ion binding / heme binding / Neutrophil degranulation / extracellular space / extracellular exosome / extracellular region / membrane / metal ion binding / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Schumacher, M.A. / Dixon, M.M. / Kluger, R. / Jones, R.T. / Brennan, R.G. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 1997 Title: Allosteric intermediates indicate R2 is the liganded hemoglobin end state. Authors: Schumacher, M.A. / Zheleznova, E.E. / Poundstone, K.S. / Kluger, R. / Jones, R.T. / Brennan, R.G. #1: Journal: Nature / Year: 1995 Title: Allosteric Transition Intermediates Modelled by Crosslinked Haemoglobins Authors: Schumacher, M.A. / Dixon, M.M. / Kluger, R. / Jones, R.T. / Brennan, R.G. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1hab.cif.gz | 122.6 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1hab.ent.gz | 101.9 KB | Display | PDB format |
PDBx/mmJSON format | 1hab.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1hab_validation.pdf.gz | 698.2 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 1hab_full_validation.pdf.gz | 752 KB | Display | |
Data in XML | 1hab_validation.xml.gz | 21.6 KB | Display | |
Data in CIF | 1hab_validation.cif.gz | 30.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ha/1hab ftp://data.pdbj.org/pub/pdb/validation_reports/ha/1hab | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
| ||||||||
Details | THERE ARE TWO ALPHA/BETA DIMERS IN THE ASYMMETRIC UNIT. |
-Components
-Protein , 2 types, 4 molecules ACBD
#1: Protein | Mass: 15150.353 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: CROSS-LINKED, CARBONMONOXY FORM / Source: (natural) Homo sapiens (human) / References: UniProt: P69905 #2: Protein | Mass: 15890.198 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: CROSS-LINKED, CARBONMONOXY FORM / Source: (natural) Homo sapiens (human) / References: UniProt: P68871 |
---|
-Non-polymers , 4 types, 149 molecules
#3: Chemical | ChemComp-HEM / #4: Chemical | ChemComp-CMO / #5: Chemical | ChemComp-CIN / | #6: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
---|
-Sample preparation
Crystal | Density Matthews: 2.97 Å3/Da / Density % sol: 58.62 % |
---|---|
Crystal grow | *PLUS pH: 6.7 / Method: batch method |
Components of the solutions | *PLUS Conc.: 2.4 M / Common name: sodium potassium phosphate |
-Data collection
Diffraction | Mean temperature: 298 K |
---|---|
Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: ADSC / Detector: AREA DETECTOR |
Radiation | Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Num. obs: 34416 / Rsym value: 0.056 |
Reflection | *PLUS Highest resolution: 2.3 Å / % possible obs: 99 % / Num. measured all: 105634 / Rmerge(I) obs: 0.056 |
-Processing
Software |
| ||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Highest resolution: 2.3 Å / σ(F): 1 /
| ||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 2.3 Å
| ||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||
Software | *PLUS Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 10 Å / Rfactor obs: 0.191 | ||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |