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Open data
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Basic information
Entry | Database: PDB / ID: 1aop | ||||||||||||
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Title | SULFITE REDUCTASE STRUCTURE AT 1.6 ANGSTROM RESOLUTION | ||||||||||||
![]() | SULFITE REDUCTASE HEMOPROTEIN | ||||||||||||
![]() | OXIDOREDUCTASE / SIROHEME / [4FE-4S] / SNIRR / SIX-ELECTRON REDUCTION / PHOSPHATE COMPLEX | ||||||||||||
Function / homology | ![]() assimilatory sulfite reductase (NADPH) / sulfite reductase (NADPH) activity / sulfite reductase (ferredoxin) activity / sulfite reductase complex (NADPH) / sulfite reductase activity / sulfate assimilation / hydrogen sulfide biosynthetic process / cysteine biosynthetic process / NADP binding / 4 iron, 4 sulfur cluster binding ...assimilatory sulfite reductase (NADPH) / sulfite reductase (NADPH) activity / sulfite reductase (ferredoxin) activity / sulfite reductase complex (NADPH) / sulfite reductase activity / sulfate assimilation / hydrogen sulfide biosynthetic process / cysteine biosynthetic process / NADP binding / 4 iron, 4 sulfur cluster binding / heme binding / metal ion binding Similarity search - Function | ||||||||||||
Biological species | ![]() ![]() | ||||||||||||
Method | ![]() ![]() | ||||||||||||
![]() | Crane, B.R. / Getzoff, E.D. | ||||||||||||
![]() | ![]() Title: Sulfite reductase structure at 1.6 A: evolution and catalysis for reduction of inorganic anions. Authors: Crane, B.R. / Siegel, L.M. / Getzoff, E.D. #1: ![]() Title: Structures of the Siroheme-and Fe4S4-Containing Active Center of Sulfite Reductase in Different States of Oxidation: Heme Activation Via Reduction-Gated Exogenous Ligand Exchange Authors: Crane, B.R. / Siegel, L.M. / Getzoff, E.D. #2: ![]() Title: Multiwavelength Anomalous Diffraction of Sulfite Reductase Hemoprotein: Making the Most of MAD Data Authors: Crane, B.R. / Bellamy, H. / Getzoff, E.D. #3: ![]() Title: Determining Phases and Anomalous-Scattering Models from the Multiwavelength Anomalous Diffraction of Native Protein Metal Clusters. Improved MAD Phase Error Estimates and Anomalous-Scatterer Positions Authors: Crane, B.R. / Getzoff, E.D. #4: ![]() Title: Characterization of the Cysjih Regions of Salmonella Typhimurium and Escherichia Coli B. DNA Sequences of Cysi and Cysh and a Model for the Siroheme-Fe4S4 Active Center of Sulfite Reductase ...Title: Characterization of the Cysjih Regions of Salmonella Typhimurium and Escherichia Coli B. DNA Sequences of Cysi and Cysh and a Model for the Siroheme-Fe4S4 Active Center of Sulfite Reductase Hemoprotein Based on Amino Acid Homology with Spinach Nitrite Reductase Authors: Ostrowski, J. / Wu, J.Y. / Rueger, D.C. / Miller, B.E. / Siegel, L.M. / Kredich, N.M. #5: ![]() Title: The Heme and Fe4S4 Cluster in the Crystallographic Structure of Escherichia Coli Sulfite Reductase Authors: Mcree, D.E. / Richardson, D.C. / Richardson, J.S. / Siegel, L.M. | ||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 121.9 KB | Display | ![]() |
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PDB format | ![]() | 89.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Similar 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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 55747.715 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: OXIDIZED, SIROHEME FE(III), [4FE-4S], +2 / Source: (gene. exp.) ![]() ![]() Description: PBR322 DERIVATIVE CONTAINING ESCHERICHIA COLI CYSIJ AND S. TYPHIMURIUM CYSG UNDER CONTROL OF CYSJIH PROMOTER EXPRESSED IN A S. TYPHIMURIUM CYSI AUXOTROPH Gene: CYSIJ / Plasmid: PJYW613 / Production host: ![]() ![]() References: UniProt: P17846, assimilatory sulfite reductase (NADPH) |
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-Non-polymers , 5 types, 490 molecules ![](data/chem/img/PO4.gif)
![](data/chem/img/K.gif)
![](data/chem/img/SF4.gif)
![](data/chem/img/SRM.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/K.gif)
![](data/chem/img/SF4.gif)
![](data/chem/img/SRM.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-PO4 / |
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#3: Chemical | ChemComp-K / |
#4: Chemical | ChemComp-SF4 / |
#5: Chemical | ChemComp-SRM / |
#6: Water | ChemComp-HOH / |
-Details
Nonpolymer details | OXIDIZED, SIROHEME FE(III), [4FE-4S], +2. |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 40 % | |||||||||||||||||||||||||
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Crystal grow | pH: 7.7 / Details: pH 7.7 | |||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 277 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Feb 11, 1994 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→30 Å / Num. obs: 61005 / % possible obs: 96.6 % / Observed criterion σ(I): 0 / Redundancy: 6 % / Rsym value: 0.099 / Net I/σ(I): 28.7 |
Reflection shell | Resolution: 1.6→1.76 Å / Mean I/σ(I) obs: 7.5 / Rsym value: 0.278 / % possible all: 93.5 |
Reflection | *PLUS Rmerge(I) obs: 0.099 |
Reflection shell | *PLUS % possible obs: 93.5 % / Rmerge(I) obs: 0.278 |
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Processing
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Refinement | Method to determine structure: MAD/MIR / Resolution: 1.6→10 Å / σ(F): 0
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Displacement parameters | Biso mean: 19.8 Å2
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Refine analyze | Luzzati sigma a obs: 0.14 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.6→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.6→1.76 Å
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor obs: 0.278 |