1UY4
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
- PDB DOI: https://doi.org/10.2210/pdb1UY4/pdb
- Classification: CARBOHYDRATE-BINDING MODULE
- Organism(s): Thermoclostridium stercorarium
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2004-03-01 Released: 2004-06-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.69 Å
- R-Value Free: 0.177
- R-Value Work: 0.132
- R-Value Observed: 0.134
wwPDB Validation 3D Report Full Report
This is version 2.1 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 |
| ENDO-1,4-BETA-XYLANASE A | 145 | Thermoclostridium stercorarium | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for Q8GJ44 (Thermoclostridium stercorarium) Explore Q8GJ44 Go to UniProtKB: Q8GJ44 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8GJ44 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | E [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CA Query on CA | D [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| NA Query on NA | C [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.69 Å
- R-Value Free: 0.177
- R-Value Work: 0.132
- R-Value Observed: 0.134
- Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 83.437 | α = 90 |
| b = 83.437 | β = 90 |
| c = 44.921 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| d*TREK | data reduction |
| d*TREK | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2004-06-18 Deposition Author(s): Van Bueren, A.L., Boraston, A.B.
Revision History (Full details and data files)
- Version 1.0: 2004-06-18
Type: Initial release - Version 1.1: 2011-05-07
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2017-07-05
Changes: Data collection - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Other, Structure summary - Version 2.1: 2023-12-13
Changes: Data collection, Database references, Derived calculations, Refinement description, Structure summary
