Download MendeleyStructure of hyperthermophilic family 12 endocellulase mutant (E197A) from Pyrococcus furiosus in complex with cellobiose
Kataoka, M., Ishikawa, K.To be published.
3WXP
Structure of hyperthermophilic family 12 endocellulase (E197A) from Pyrococcus furiosus in complex with cellobiose
- PDB DOI: https://doi.org/10.2210/pdb3WXP/pdb
- Classification: HYDROLASE
- Organism(s): Pyrococcus furiosus
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2014-08-04 Released: 2015-11-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.42 ?
- R-Value Free: 0.152
- R-Value Work: 0.112
- R-Value Observed: 0.114
wwPDB Validation 3D Report Full Report
This is version 2.1 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 |
| Endoglucanase A | 319 | Pyrococcus furiosus | Mutation(s): 1 Gene Names: eglA EC: 3.2.1.4 |  | |
UniProt | |||||
Find proteins for Q9V2T0 (Pyrococcus furiosus) Explore Q9V2T0 Go to UniProtKB: Q9V2T0 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9V2T0 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NHE Query on NHE | F [auth A], G [auth A], H [auth A] | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID C8 H17 N O3 S MKWKNSIESPFAQN-UHFFFAOYSA-N |  | ||
| CA Query on CA | D [auth A], E [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-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, C | beta-cellobiose | Oligosaccharide / Metabolism |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.42 ?
- R-Value Free: 0.152
- R-Value Work: 0.112
- R-Value Observed: 0.114
- Space Group: P 21 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 58.738 | ¦Á = 90 |
| b = 119.281 | ¦Â = 90 |
| c = 46.794 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| MOLREP | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| HKL-2000 | data reduction |
Entry History
Deposition Data
- Released Date: 2015-11-18 Deposition Author(s): Kataoka, M., Ishikawa, K.
Revision History (Full details and data files)
- Version 1.0: 2015-11-18
Type: Initial release - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Database references, Derived calculations, Structure summary - Version 2.1: 2024-03-20
Changes: Data collection, Database references, Structure summary
