1W3L
ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOTRI DERIVED-TETRAHYDROOXAZINE
- PDB DOI: https://doi.org/10.2210/pdb1W3L/pdb
- Classification: HYDROLASE
- Organism(s): Salipaludibacillus agaradhaerens
- Expression System: Bacillus subtilis
- Mutation(s): No
- Deposited: 2004-07-16 Released: 2004-09-08
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.04 Å
- R-Value Free: 0.121
- R-Value Work: 0.105
- R-Value Observed: 0.106
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 |
| ENDOGLUCANASE 5A | 303 | Salipaludibacillus agaradhaerens | Mutation(s): 0 EC: 3.2.1.4 |  | |
UniProt | |||||
Find proteins for O85465 (Salipaludibacillus agaradhaerens) Explore O85465 Go to UniProtKB: O85465 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O85465 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| OXZ Query on OXZ | F [auth A] | TETRAHYDROOXAZINE C5 H11 N O4 KHVCOYGKHDJPBZ-WDCZJNDASA-N |  | ||
| SO4 Query on SO4 | E [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| GOL Query on GOL | C [auth A], D [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_900005 Query on PRD_900005 | B | beta-cellobiose | Oligosaccharide / Metabolism |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.04 Å
- R-Value Free: 0.121
- R-Value Work: 0.105
- R-Value Observed: 0.106
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 54.909 | α = 90 |
| b = 69.434 | β = 90 |
| c = 76.82 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2004-09-08 Deposition Author(s): Gloster, T.M., Macdonald, J.M., Tarling, C.A., Stick, R.V., Withers, S.W., Davies, G.J.
Revision History (Full details and data files)
- Version 1.0: 2004-09-08
Type: Initial release - Version 1.1: 2011-05-08
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - 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, Refinement description, Structure summary
