+
Open data
-
Basic information
Entry | Database: PDB / ID: 2vdg | ||||||
---|---|---|---|---|---|---|---|
Title | Barley Aldose Reductase 1 complex with butanol | ||||||
![]() | ALDOSE REDUCTASE | ||||||
![]() | OXIDOREDUCTASE / STRESS RESPONSE / ALDOSE REDUCTASE / ALDO-KETO REDUCTASE / NADP / AKR4C / LIGAND COMPLEX | ||||||
Function / homology | ![]() aldose reductase / aldose reductase (NADPH) activity / oxidoreductase activity Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Olsen, J.G. / Pedersen, L. / Christensen, C.L. / Olsen, O. / Henriksen, A. | ||||||
![]() | ![]() Title: Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family. Authors: Olsen, J.G. / Pedersen, L. / Christensen, C.L. / Olsen, O. / Henriksen, A. #1: Journal: Embo J. / Year: 1991 Title: An Aba and Ga Modulated Gene Expressed in the Barley Embryo Encodes an Aldose Reductase Related Protein Authors: Bartels, D. / Engelhardt, K. / Roncarati, R. / Schneider, K. / Rotter, M. / Salamini, F. | ||||||
History |
| ||||||
Remark 700 | SHEET DETERMINATION METHOD: THE SHEET PRESENTED AS AB ON SHEET RECORDS BELOW IS ACTUALLY AN N- ... SHEET DETERMINATION METHOD: THE SHEET PRESENTED AS AB ON SHEET RECORDS BELOW IS ACTUALLY AN N-STRANDED BETA-BARREL. THIS IS REPRESENTED BY A N+1-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. |
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 83.9 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 61 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 730.6 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 732.6 KB | Display | |
Data in XML | ![]() | 16.1 KB | Display | |
Data in CIF | ![]() | 23.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2bgqC ![]() 2bgsSC S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 38847.176 Da / Num. of mol.: 1 / Fragment: RESIDUES 2-320 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q42837, UniProt: P23901*PLUS, aldose reductase | ||||||
---|---|---|---|---|---|---|---|
#2: Chemical | ChemComp-NDP / | ||||||
#3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | Sequence details | N-TERMINAL RECOMBINAN | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 42.3 % / Description: NONE |
---|---|
Crystal grow | pH: 7 / Details: 3.2 M AMSO4, 0.1 M HEPES PH 7.0, 20% BUTANOL |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Sep 17, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.802 Å / Relative weight: 1 |
Reflection | Resolution: 1.92→15.9 Å / Num. obs: 53741 / % possible obs: 87.5 % / Observed criterion σ(I): 0 / Redundancy: 2.7 % / Biso Wilson estimate: 14.21 Å2 / Rmerge(I) obs: 0.12 / Net I/σ(I): 3.6 |
Reflection shell | Resolution: 1.92→2.06 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.31 / Mean I/σ(I) obs: 2.1 / % possible all: 89.9 |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2BGS Resolution: 1.92→16.2 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.922 / SU B: 3.779 / SU ML: 0.11 / Cross valid method: THROUGHOUT / ESU R: 0.205 / ESU R Free: 0.164 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.2 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.92→16.2 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|