+Open data
-Basic information
Entry | Database: PDB / ID: 1q12 | ||||||
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Title | Crystal Structure of the ATP-bound E. coli MalK | ||||||
Components | Maltose/maltodextrin transport ATP-binding protein malK | ||||||
Keywords | TRANSPORT PROTEIN / ATP-binding cassette | ||||||
Function / homology | Function and homology information ABC-type maltose transporter / ABC-type maltose transporter activity / negative regulation of maltose transport / enzyme IIA-maltose transporter complex / negative regulation of transmembrane transport / maltose transport complex / maltose transport / maltodextrin transmembrane transport / ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing / ATP-binding cassette (ABC) transporter complex ...ABC-type maltose transporter / ABC-type maltose transporter activity / negative regulation of maltose transport / enzyme IIA-maltose transporter complex / negative regulation of transmembrane transport / maltose transport complex / maltose transport / maltodextrin transmembrane transport / ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing / ATP-binding cassette (ABC) transporter complex / DNA-binding transcription factor binding / ATP hydrolysis activity / ATP binding / membrane Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å | ||||||
Authors | Chen, J. / Lu, G. / Lin, J. / Davidson, A.L. / Quiocho, F.A. | ||||||
Citation | Journal: Mol.Cell / Year: 2003 Title: A tweezers-like motion of the ATP-binding cassette dimer in an ABC transport cycle Authors: Chen, J. / Lu, G. / Lin, J. / Davidson, A.L. / Quiocho, F.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1q12.cif.gz | 290.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1q12.ent.gz | 235.1 KB | Display | PDB format |
PDBx/mmJSON format | 1q12.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1q12_validation.pdf.gz | 1.6 MB | Display | wwPDB validaton report |
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Full document | 1q12_full_validation.pdf.gz | 1.7 MB | Display | |
Data in XML | 1q12_validation.xml.gz | 61.9 KB | Display | |
Data in CIF | 1q12_validation.cif.gz | 81.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q1/1q12 ftp://data.pdbj.org/pub/pdb/validation_reports/q1/1q12 | HTTPS FTP |
-Related structure data
Related structure data | 1q1bC 1q1eC 1g29S C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 42184.535 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Gene: MALK OR B4035 OR Z5633 OR ECS5018 / Plasmid: pKPS2E-86 / Production host: Escherichia coli (E. coli) / Strain (production host): HN741 / References: UniProt: P68187 #2: Chemical | ChemComp-ATP / #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: 3.29 Å3/Da / Density % sol: 62.62 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 273 K / Method: vapor diffusion, hanging drop / pH: 8.8 Details: PEG 4000, glycerol, Sodium Acetate, Tris, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 273K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X4A / Wavelength: 0.98 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Nov 12, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→15 Å / Num. all: 138796 / Num. obs: 124917 / % possible obs: 90 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 3.9 % / Biso Wilson estimate: 20.5 Å2 / Rmerge(I) obs: 0.1 / Rsym value: 0.106 / Net I/σ(I): 18.5 |
Reflection shell | Resolution: 2.6→2.69 Å / Redundancy: 2 % / Rmerge(I) obs: 0.283 / Mean I/σ(I) obs: 5.4 / Num. unique all: 8481 / Rsym value: 0.283 / % possible all: 61 |
Reflection | *PLUS Lowest resolution: 15 Å / % possible obs: 89.9 % / Rmerge(I) obs: 0.106 |
Reflection shell | *PLUS Highest resolution: 2.6 Å / Lowest resolution: 2.7 Å / % possible obs: 60.1 % / Redundancy: 2.1 % / Num. unique obs: 8481 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1G29 Resolution: 2.6→14.8 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 613412.44 / Data cutoff high rms absF: 613412.44 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 39.6054 Å2 / ksol: 0.331177 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 70.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.6→14.8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.6→2.76 Å / Rfactor Rfree error: 0.013 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Highest resolution: 2.6 Å / Lowest resolution: 15 Å / % reflection Rfree: 5-8 | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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