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Yorodumi- PDB-1hex: STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COMPLEX WITH NAD+... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1hex | ||||||
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Title | STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COMPLEX WITH NAD+: LIGAND-INDUCED LOOP-CLOSING AND MECHANISM FOR COFACTOR SPECIFICITY | ||||||
Components | 3-ISOPROPYLMALATE DEHYDROGENASE | ||||||
Keywords | OXIDOREDUCTASE | ||||||
Function / homology | Function and homology information 3-isopropylmalate dehydrogenase / 3-isopropylmalate dehydrogenase activity / L-leucine biosynthetic process / NAD binding / magnesium ion binding / identical protein binding / cytosol Similarity search - Function | ||||||
Biological species | Thermus thermophilus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.5 Å | ||||||
Authors | Hurley, J.H. | ||||||
Citation | Journal: Structure / Year: 1994 Title: Structure of 3-isopropylmalate dehydrogenase in complex with NAD+: ligand-induced loop closing and mechanism for cofactor specificity. Authors: Hurley, J.H. / Dean, A.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1hex.cif.gz | 78.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1hex.ent.gz | 60.1 KB | Display | PDB format |
PDBx/mmJSON format | 1hex.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1hex_validation.pdf.gz | 522.4 KB | Display | wwPDB validaton report |
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Full document | 1hex_full_validation.pdf.gz | 530 KB | Display | |
Data in XML | 1hex_validation.xml.gz | 9.3 KB | Display | |
Data in CIF | 1hex_validation.cif.gz | 13.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/he/1hex ftp://data.pdbj.org/pub/pdb/validation_reports/he/1hex | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO 143 |
-Components
#1: Protein | Mass: 36825.160 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermus thermophilus (bacteria) / Production host: Escherichia coli (E. coli) References: UniProt: Q5SIY4, 3-isopropylmalate dehydrogenase |
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#2: Chemical | ChemComp-NAD / |
#3: Water | ChemComp-HOH / |
Sequence details | THE SEQUENCE HAS NOT BEEN REPORTED. IT WAS DERIVED FROM THE SEQUENCE OF IMADA ET AL., 1991, WITH ...THE SEQUENCE HAS NOT BEEN REPORTED. IT WAS DERIVED FROM THE SEQUENCE OF IMADA ET AL., 1991, WITH UNPUBLISHE |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 4.12 Å3/Da / Density % sol: 70.14 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 7 / Method: vapor diffusion, sitting drop | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | Num. obs: 21745 / % possible obs: 98.5 % / Observed criterion σ(I): 0 |
Reflection | *PLUS Highest resolution: 2.5 Å / Num. measured all: 177386 / Rmerge(I) obs: 0.078 |
-Processing
Software |
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Refinement | Resolution: 2.5→6 Å / σ(F): 0 /
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Displacement parameters | Biso mean: 42 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→6 Å
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Refine LS restraints |
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Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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