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- PDB-1luw: CATALYTIC AND STRUCTURAL EFFECTS OF AMINO-ACID SUBSTITUTION AT HI... -
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Basic information
Entry | Database: PDB / ID: 1luw | ||||||
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Title | CATALYTIC AND STRUCTURAL EFFECTS OF AMINO-ACID SUBSTITUTION AT HIS 30 IN HUMAN MANGANESE SUPEROXIDE DISMUTASE: INSERTION OF VAL CGAMMA INTO THE SUBSTRATE ACCESS CHANNEL | ||||||
![]() | Superoxide dismutase [Mn] | ||||||
![]() | OXIDOREDUCTASE / Human Manganese superoxide dismutase / MnSOD | ||||||
Function / homology | ![]() acetylcholine-mediated vasodilation involved in regulation of systemic arterial blood pressure / erythrophore differentiation / positive regulation of vascular associated smooth muscle cell differentiation involved in phenotypic switching / negative regulation of membrane hyperpolarization / detection of oxygen / positive regulation of hydrogen peroxide biosynthetic process / response to magnetism / response to silicon dioxide / response to L-ascorbic acid / response to isolation stress ...acetylcholine-mediated vasodilation involved in regulation of systemic arterial blood pressure / erythrophore differentiation / positive regulation of vascular associated smooth muscle cell differentiation involved in phenotypic switching / negative regulation of membrane hyperpolarization / detection of oxygen / positive regulation of hydrogen peroxide biosynthetic process / response to magnetism / response to silicon dioxide / response to L-ascorbic acid / response to isolation stress / intracellular oxygen homeostasis / response to selenium ion / response to superoxide / superoxide anion generation / cellular response to ethanol / hydrogen peroxide biosynthetic process / response to manganese ion / intrinsic apoptotic signaling pathway in response to oxidative stress / positive regulation of vascular associated smooth muscle cell apoptotic process / Deregulated CDK5 triggers multiple neurodegenerative pathways in Alzheimer's disease models / superoxide metabolic process / response to zinc ion / negative regulation of fat cell differentiation / superoxide dismutase / Detoxification of Reactive Oxygen Species / mitochondrial nucleoid / superoxide dismutase activity / negative regulation of vascular associated smooth muscle cell proliferation / hemopoiesis / response to immobilization stress / response to axon injury / response to hyperoxia / neuron development / FOXO-mediated transcription of oxidative stress, metabolic and neuronal genes / response to cadmium ion / negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / response to electrical stimulus / negative regulation of fibroblast proliferation / glutathione metabolic process / Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation / respiratory electron transport chain / removal of superoxide radicals / release of cytochrome c from mitochondria / post-embryonic development / liver development / regulation of mitochondrial membrane potential / response to activity / locomotory behavior / response to gamma radiation / response to hydrogen peroxide / Transcriptional activation of mitochondrial biogenesis / multicellular organismal-level iron ion homeostasis / oxygen binding / regulation of blood pressure / intrinsic apoptotic signaling pathway in response to DNA damage / positive regulation of nitric oxide biosynthetic process / heart development / manganese ion binding / cellular response to oxidative stress / protein homotetramerization / negative regulation of neuron apoptotic process / response to lipopolysaccharide / response to hypoxia / positive regulation of cell migration / mitochondrial matrix / response to xenobiotic stimulus / negative regulation of cell population proliferation / regulation of transcription by RNA polymerase II / enzyme binding / mitochondrion / DNA binding / extracellular exosome / identical protein binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Hearn, A.S. / Stroupe, M.E. / Ramilo, C.A. / Luba, J.P. / Cabelli, D.E. / Tainer, J.A. / Silverman, D.N. | ||||||
![]() | ![]() Title: Catalytic and structural effects of amino acid substitution at histidine 30 in human manganese superoxide dismutase: insertion of valine C gamma into the substrate access channel Authors: Hearn, A.S. / Stroupe, M.E. / Cabelli, D.E. / Ramilo, C.A. / Luba, J.P. / Tainer, J.A. / Nick, H.S. / Silverman, D.N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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PDBx/mmCIF format | ![]() | 94.2 KB | Display | ![]() |
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PDB format | ![]() | 72.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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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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Details | The asymmetric unit contains a dimer; to generate the active tetramer apply the following rotation and translation to chains A and B 0.500000 -0.866025 0.000000 -0.866025 -0.500000 0.000000 0.000000 0.000000 -1.00000 translation: 39.82150 68.97286 201.36833 |
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Components
#1: Protein | Mass: 22223.094 Da / Num. of mol.: 2 / Mutation: H30Q Source method: isolated from a genetically manipulated source 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: 2.48 Å3/Da / Density % sol: 50.42 % | ||||||||||||||||||
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 50 mM imidazole/malate, 2.5 M ammonium sulfate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 294K | ||||||||||||||||||
Crystal grow | *PLUS Method: unknown / PH range low: 8 / PH range high: 7 | ||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 272 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Oct 31, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→17 Å / Num. obs: 19640 / % possible obs: 93.4 % / Observed criterion σ(I): -3 / Redundancy: 2.06 % / Biso Wilson estimate: 31.2 Å2 / Rsym value: 0.075 / Net I/σ(I): 7.4 |
Reflection shell | Resolution: 2.3→2.34 Å / Redundancy: 1.45 % / Mean I/σ(I) obs: 2.55 / Num. unique all: 648 / Rsym value: 0.334 / % possible all: 91.3 |
Reflection | *PLUS Lowest resolution: 17 Å / % possible obs: 93 % / Rmerge(I) obs: 0.075 |
Reflection shell | *PLUS % possible obs: 91 % / Rmerge(I) obs: 0.33 / Mean I/σ(I) obs: 2.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: hMnSOD Y34F Resolution: 2.3→16.81 Å / Rfactor Rfree error: 0.006 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 38.4849 Å2 / ksol: 0.345009 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.1 Å2
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Refine analyze | Luzzati coordinate error free: 0.39 Å / Luzzati sigma a free: 0.34 Å | |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→16.81 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.44 Å / Rfactor Rfree error: 0.018 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Highest resolution: 2.3 Å / Lowest resolution: 17 Å / % reflection Rfree: 9 % / Rfactor obs: 0.234 / Rfactor Rfree: 0.278 / Rfactor Rwork: 0.234 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rwork: 0.28 / Rfactor obs: 0.28 |