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Yorodumi- PDB-1qg5: HIGH RESOLUTION CRYSTAL STRUCTURE OF THE BOVINE BETA-LACTOGLOBULI... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1qg5 | ||||||
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Title | HIGH RESOLUTION CRYSTAL STRUCTURE OF THE BOVINE BETA-LACTOGLOBULIN (ISOFORM A) | ||||||
Components | BETA-LACTOGLOBULIN | ||||||
Keywords | TRANSPORT PROTEIN / LIPOCALIN / ISOFORM A | ||||||
Function / homology | Function and homology information retinol binding / long-chain fatty acid binding / extracellular space / identical protein binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Oliveira, K.M.G. / Sawyer, L. / Polikarpov, I. | ||||||
Citation | Journal: Eur.J.Biochem. / Year: 2001 Title: Crystal structures of bovine beta-lactoglobulin in the orthorhombic space group C222(1). Structural differences between genetic variants A and B and features of the Tanford transition. Authors: Oliveira, K.M. / Valente-Mesquita, V.L. / Botelho, M.M. / Sawyer, L. / Ferreira, S.T. / Polikarpov, I. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1qg5.cif.gz | 44.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qg5.ent.gz | 31.6 KB | Display | PDB format |
PDBx/mmJSON format | 1qg5.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qg/1qg5 ftp://data.pdbj.org/pub/pdb/validation_reports/qg/1qg5 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 18387.264 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: ISOFORM A DIFFERS IN A PRIMARY AMINO ACID SEQUENCE FROM ISOFORM B AT POSITIONS 64(ASP-->GLY) AND 118 (VAL-->ALA) Source: (natural) Bos taurus (cattle) / Organ: BREAST / Secretion: BREAST / Variant: VARIANT A / Tissue: MAMMARY GLAND / References: UniProt: P02754 |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 42 % / Description: DATA WERE COLLECTED USING OSCILLATION METHOD | ||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 7.9 Details: THE CRYSTAL WAS GROWN AT PH 7.9, HANGING DROP METHOD. DROP CONTAINED 2.5M (NH4) 2SO4, 180MM TRIZMA BUFFER, AND 20MG/ML PROTEIN REMARK 290, VAPOR DIFFUSION, HANGING DROP | ||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 291 K |
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Diffraction source | Source: SYNCHROTRON / Site: LNLS / Beamline: D03B-MX1 / Wavelength: 1.38 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Sep 15, 1997 / Details: MIRRORS |
Radiation | Monochromator: SI (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.38 Å / Relative weight: 1 |
Reflection | Resolution: 2→12.92 Å / Num. obs: 9631 / % possible obs: 90.9 % / Observed criterion σ(I): 2 / Redundancy: 2.8 % / Biso Wilson estimate: 28.4 Å2 / Rsym value: 0.066 / Net I/σ(I): 12.7 |
Reflection shell | Resolution: 2→2.05 Å / Rsym value: 0.463 / % possible all: 91.2 |
Reflection | *PLUS Lowest resolution: 12.9 Å / Rmerge(I) obs: 0.066 |
Reflection shell | *PLUS % possible obs: 91.2 % / Rmerge(I) obs: 0.46 / Mean I/σ(I) obs: 2.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→9.5 Å / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.21
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Displacement parameters | Biso mean: 42.9 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→9.5 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor Rfree: 0.283 / Rfactor Rwork: 0.212 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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