Download MendeleyBinding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site
Petit, P., Langlois D'Estaintot, B., Granier, T., Gallois, B.To be published.
2NNL
Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site
- PDB DOI: https://doi.org/10.2210/pdb2NNL/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Vitis vinifera
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2006-10-24 Released: 2007-11-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.242
- R-Value Work: 0.190
- R-Value Observed: 0.192
Starting Model: experimental
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This is version 1.3 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Dihydroflavonol 4-reductase | A [auth D], B [auth F] | 337 | Vitis vinifera | Mutation(s): 0 Gene Names: dfr1 EC: 1.1.1.219 (PDB Primary Data), 1.1.1.234 (UniProt) |  |
UniProt | |||||
Find proteins for P51110 (Vitis vinifera) Explore P51110 Go to UniProtKB: P51110 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P51110 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAP Query on NAP | C [auth D], E [auth F] | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H28 N7 O17 P3 XJLXINKUBYWONI-NNYOXOHSSA-N |  | ||
| ERD Query on ERD | D, F | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE C15 H12 O6 SBHXYTNGIZCORC-ZDUSSCGKSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.242
- R-Value Work: 0.190
- R-Value Observed: 0.192
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 87.825 | ¦Á = 90 |
| b = 90.143 | ¦Â = 90 |
| c = 93.297 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| ADSC | data collection |
| MOSFLM | data reduction |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2007-11-13 Deposition Author(s): Petit, P., Langlois D'Estaintot, B., Granier, T., Gallois, B.
Revision History (Full details and data files)
- Version 1.0: 2007-11-13
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2019-12-25
Changes: Data collection - Version 1.3: 2023-10-25
Changes: Data collection, Database references, Derived calculations, Refinement description
