1E4I
2-deoxy-2-fluoro-beta-D-glucosyl/enzyme intermediate complex of the beta-glucosidase from Bacillus polymyxa
- PDB DOI: https://doi.org/10.2210/pdb1E4I/pdb
- Classification: HYDROLASE
- Organism(s): Paenibacillus polymyxa
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2000-07-06 Released: 2001-07-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.250
- R-Value Work: 0.210
- R-Value Observed: 0.210
wwPDB Validation 3D Report Full Report
This is version 1.5 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| BETA-GLUCOSIDASE | 447 | Paenibacillus polymyxa | Mutation(s): 1 EC: 3.2.1.21 |  | |
UniProt | |||||
Find proteins for P22073 (Paenibacillus polymyxa) Explore P22073 Go to UniProtKB: P22073 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P22073 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NFG Query on NFG | C [auth A] | 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside C12 H13 F N2 O9 UFSBFVZQJZMIOU-LZQZFOIKSA-N |  | ||
| G2F Query on G2F | B [auth A] | 2-deoxy-2-fluoro-alpha-D-glucopyranose C6 H11 F O5 ZCXUVYAZINUVJD-UKFBFLRUSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.250
- R-Value Work: 0.210
- R-Value Observed: 0.210
- Space Group: I 4 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 136.23 | α = 90 |
| b = 136.23 | β = 90 |
| c = 173.26 | γ = 90 |
| Software Name | Purpose |
|---|---|
| X-PLOR | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2001-07-05 Deposition Author(s): Sanz-Aparicio, J., Gonzalez, B., Hermoso, J.A., Arribas, J.C., Canada, F.J., Polaina, J.
Revision History (Full details and data files)
- Version 1.0: 2001-07-05
Type: Initial release - Version 1.1: 2014-07-30
Changes: Database references, Structure summary, Version format compliance - Version 1.2: 2018-06-13
Changes: Data collection, Database references - Version 1.3: 2020-07-01
Changes: Advisory, Derived calculations - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.5: 2023-12-13
Changes: Data collection, Database references, Refinement description, Structure summary
