[English] 日本語
![](img/lk-miru.gif)
- PDB-2aop: SULFITE REDUCTASE: REDUCED WITH CRII EDTA, SIROHEME FEII, [4FE-4S... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 2aop | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | SULFITE REDUCTASE: REDUCED WITH CRII EDTA, SIROHEME FEII, [4FE-4S] +1, PHOSPHATE BOUND | |||||||||
![]() | SULFITE REDUCTASE HEMOPROTEIN | |||||||||
![]() | ![]() ![]() | |||||||||
Function / homology | ![]() assimilatory sulfite reductase (NADPH) / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Crane, B.R. / Getzoff, E.D. | |||||||||
![]() | ![]() 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. #1: ![]() 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. | |||||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 118.7 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 87.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | ![]() 3aopC ![]() 4aopC ![]() 5aopC ![]() 1aopS S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
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 Source: (gene. exp.) ![]() ![]() ![]() Description: PBR322 DERIVATIVE CONTAINING ESCHERICHIA COLI CYSIJ AND S. TYPHIMURIUM CYSG UNDER CONTROL OF THE CYSJIH PROMOTOR EXPRESSED IN A S. TYPHIMURIUM CYSI AUXOTROPH Gene: CYSIJ / Plasmid: PJYW613 / Gene (production host): CYSIJ / Production host: ![]() ![]() References: UniProt: P17846, assimilatory sulfite reductase (NADPH) |
---|
-Non-polymers , 5 types, 428 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 / ![]() |
---|---|
#3: Chemical | ChemComp-K / |
#4: Chemical | ChemComp-SF4 / ![]() |
#5: Chemical | ChemComp-SRM / ![]() |
#6: Water | ChemComp-HOH / ![]() |
-Details
Nonpolymer details | REDUCED WITH CRII EDTA, SIROHEME HAS FEII, [4FE-4S] IS +1, PHOSPHATE IS COORDINATED TO THE SIROHEME. ...REDUCED WITH CRII EDTA, SIROHEME HAS FEII, [4FE-4S] IS +1, PHOSPHATE IS COORDINATE |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 40 % / Description: CRYSTALS ARE ISOMORPHOUS WITH THOSE FOR 1AOP. |
---|---|
Crystal grow![]() | pH: 7.4 Details: OXIDIZED SIRHP CRYSTALS WERE REDUCED WITH CRII EDTA IN THE PRESENCE OF PHOSPHATE, SIROHEME HAS FEII AND [4FE-4S] CLUSTER IS PRESUMED +1., pH 7.4 |
Crystal grow | *PLUS pH: 7.7 / Method: other / Details: macroseeding |
Components of the solutions | *PLUS Conc.: 11 % / Common name: PEG MW 8000 |
-Data collection
Diffraction | Mean temperature: 277 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jan 10, 1996 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.75→40 Å / Num. obs: 46768 / % possible obs: 96.8 % / Observed criterion σ(I): 0 / Redundancy: 4.2 % / Rsym value: 0.066 / Net I/σ(I): 18.6 |
Reflection shell | Resolution: 1.75→1.81 Å / Mean I/σ(I) obs: 3.6 / Rsym value: 0.336 / % possible all: 95.4 |
Reflection | *PLUS % possible obs: 97.8 % / Rmerge(I) obs: 0.066 |
Reflection shell | *PLUS % possible obs: 95.4 % / Rmerge(I) obs: 0.336 |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1AOP Resolution: 1.75→10 Å / σ(F): 2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.4 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati d res low obs: 4 Å / Luzzati sigma a obs: 0.15 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.75→10 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 1.75→1.81 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Xplor file |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor obs: 0.251 |