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Open data
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Basic information
Entry | Database: PDB / ID: 5hbi | ||||||
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Title | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM | ||||||
![]() | HEMOGLOBIN![]() | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Royer Junior, W.E. | ||||||
![]() | ![]() Title: Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. Authors: Pardanani, A. / Gambacurta, A. / Ascoli, F. / Royer Jr., W.E. #1: ![]() Title: Ordered Water Molecules as Key Allosteric Mediators in a Cooperative Dimeric Hemoglobin Authors: Royer Junior, W.E. / Pardanani, A. / Gibson, Q.H. / Peterson, E.S. / Friedman, J.M. #2: ![]() Title: A Single Mutation (Thr72-->Ile) at the Subunit Interface is Crucial for the Functional Properties of the Homodimeric Co-Operative Haemoglobin from Scapharca Inaequivalvis Authors: Gambacurta, A. / Piro, M.C. / Coletta, M. / Clementi, M.E. / Polizio, F. / Desideri, A. / Santucci, R. / Ascoli, F. #3: ![]() Title: High-Resolution Crystallographic Analysis of a Co-Operative Dimeric Hemoglobin Authors: Royer Junior, W.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 74.4 KB | Display | ![]() |
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PDB format | ![]() | 55.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4hbiC ![]() 6hbiC ![]() 7hbiC ![]() 3sdhS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.425781, -0.295485, -0.855219), Vector ![]() |
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Components
#1: Protein | ![]() Mass: 15979.356 Da / Num. of mol.: 2 / Mutation: T72I Source method: isolated from a genetically manipulated source Details: SCAPHARCA DIMERIC HEMOGLOBIN, HEME GROUP, PROTOPORPHYRIN IX IRON Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() #2: Chemical | ![]() #3: Chemical | ![]() #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.26 Å3/Da / Density % sol: 45 % | |||||||||||||||
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Crystal grow![]() | pH: 7.5 Details: PROTEIN WAS CRYSTALLIZED FROM 2.3M NA/K PHOSPHATE AT PH 7.5 | |||||||||||||||
Crystal | *PLUS | |||||||||||||||
Crystal grow | *PLUS Method: batch method / Details: Royer Junior, W.E., (1994) J.Mol.Biol., 235, 657. | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Aug 1, 1996 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.6→20 Å / Num. obs: 33035 / % possible obs: 87.9 % / Observed criterion σ(I): 1 / Redundancy: 2.6 % / Rmerge(I) obs: 0.062 |
Reflection | *PLUS Num. measured all: 85575 / Rmerge(I) obs: 0.0617 |
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Processing
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Refinement | Method to determine structure![]() Starting model: PDB ENTRY 3SDH Resolution: 1.6→10 Å / Cross valid method: THROUGHOUT / σ(F): 1
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Refinement step | Cycle: LAST / Resolution: 1.6→10 Å
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Refine LS restraints |
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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