+Open data
-Basic information
Entry | Database: PDB / ID: 1f6s | ||||||
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Title | CRYSTAL STRUCTURE OF BOVINE ALPHA-LACTALBUMIN | ||||||
Components | ALPHA-LACTALBUMIN | ||||||
Keywords | METAL BINDING PROTEIN / Calcium binding protein | ||||||
Function / homology | Function and homology information response to dehydroepiandrosterone / response to 11-deoxycorticosterone / lactose synthase activity / lactose biosynthetic process / response to progesterone / response to estradiol / lysozyme activity / calcium ion binding / extracellular space / identical protein binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.2 Å | ||||||
Authors | Chrysina, E.D. / Brew, K. / Acharya, K.R. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2000 Title: Crystal structures of apo- and holo-bovine alpha-lactalbumin at 2. 2-A resolution reveal an effect of calcium on inter-lobe interactions. Authors: Chrysina, E.D. / Brew, K. / Acharya, K.R. #1: Journal: Biochemistry / Year: 1998 Title: Structural Evidence for the Presence of a Secondary Calcium Binding Site in Human alpha-Lactalbumin Authors: Chandra, N. / Brew, K. / Acharya, K.R. #2: Journal: Structure / Year: 1996 Title: Crystal Structures of Guinea-pig, Goat and Bovine alpha-Lactalbumin Highlight the Enhanced Conformational Flexibility of Regions that are Significant for its Action in Lactose Synthase Authors: Pike, A.C. / Brew, K. / Acharya, K.R. #3: Journal: J.Mol.Biol. / Year: 1991 Title: Crystal Structure of Human alpha-Lactalbumin at 1.7 A Resolution Authors: Acharya, K.R. / Ren, J.S. / Stuart, D.I. / Phillips, D.C. / Fenna, R.E. #4: Journal: J.Mol.Biol. / Year: 1989 Title: Refined Structure of Baboon alpha-Lactalbumin at 1.7 A Resolution. Comparison with C-type Lysozyme Authors: Acharya, K.R. / Stuart, D.I. / Walker, N.P. / Lewis, M. / Phillips, D.C. #5: Journal: Nature / Year: 1986 Title: Alpha-Lactalbumin Possesses a Novel Calcium-Binding Loop Authors: Stuart, D.I. / Acharya, K.R. / Walker, N.P. / Smith, S.G. / Lewis, M. / Phillips, D.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1f6s.cif.gz | 151.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1f6s.ent.gz | 127.7 KB | Display | PDB format |
PDBx/mmJSON format | 1f6s.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/f6/1f6s ftp://data.pdbj.org/pub/pdb/validation_reports/f6/1f6s | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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6 |
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Unit cell |
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-Components
#1: Protein | Mass: 14202.048 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P00711 #2: Chemical | ChemComp-CA / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.3 % | ||||||||||||||||||||
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop Details: Polyethylene glycol, Potassium dihydrogen orthophosphate, VAPOR DIFFUSION, HANGING DROP, temperature 289K | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 16 ℃ / Method: vapor diffusion | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: BW7B / Wavelength: 0.847 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Apr 30, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.847 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→40 Å / Num. all: 45363 / Num. obs: 371734 / % possible obs: 99.2 % / Redundancy: 8.2 % / Biso Wilson estimate: 31.2 Å2 / Rmerge(I) obs: 0.081 / Net I/σ(I): 11.5 |
Reflection shell | Resolution: 2.2→2.32 Å / Rmerge(I) obs: 0.517 / Num. unique all: 4182 / % possible all: 99.2 |
Reflection | *PLUS Num. obs: 45363 / Num. measured all: 371734 |
Reflection shell | *PLUS % possible obs: 99.2 % / Mean I/σ(I) obs: 2.1 |
-Processing
Software |
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Refinement | Resolution: 2.2→29.99 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 1132224.49 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 72.59 Å2 / ksol: 0.416 e/Å3 | ||||||||||||||||||||
Displacement parameters | Biso mean: 49.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.2→29.99 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.34 Å / Rfactor Rfree error: 0.012 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.9 / Classification: refinement | ||||||||||||||||||||
Refine LS restraints | *PLUS
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