Download MendeleyCrystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET EFI-506389) complexed with NADH and D-mannonate
Wichelecki, S., Lukk, T., Imker, H.J., Nair, S.K., Gerlt, J.A.To be published.
4IM7
Crystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET EFI-506389) complexed with NADH and D-mannonate
- PDB DOI: https://doi.org/10.2210/pdb4IM7/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Escherichia coli CFT073
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2013-01-02 Released: 2013-01-23
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.173
- R-Value Work: 0.148
- R-Value Observed: 0.150
This is version 1.2 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 |
| Hypothetical oxidoreductase ydfI | 506 | Escherichia coli CFT073 | Mutation(s): 0 Gene Names: c1968, ydfI EC: 1 |  | |
UniProt | |||||
Find proteins for A0A0H2V7F2 (Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC)) Explore A0A0H2V7F2 Go to UniProtKB: A0A0H2V7F2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A0H2V7F2 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAI Query on NAI | C [auth A] | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE C21 H29 N7 O14 P2 BOPGDPNILDQYTO-NNYOXOHSSA-N |  | ||
| CS2 Query on CS2 | B [auth A] | D-MANNONIC ACID C6 H12 O7 RGHNJXZEOKUKBD-MBMOQRBOSA-N |  | ||
| SO4 Query on SO4 | D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.173
- R-Value Work: 0.148
- R-Value Observed: 0.150
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 92.49 | α = 90 |
| b = 92.49 | β = 90 |
| c = 136 | γ = 120 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| XDS | data reduction |
Entry History
Deposition Data
- Released Date: 2013-01-23 Deposition Author(s): Lukk, T., Wichelecki, D., Imker, H.J., Gerlt, J.A., Nair, S.K.
Revision History (Full details and data files)
- Version 1.0: 2013-01-23
Type: Initial release - Version 1.1: 2014-11-12
Changes: Structure summary - Version 1.2: 2024-02-28
Changes: Data collection, Database references, Derived calculations
