Download MendeleyThe Crystal Structure of Cellulase-Inhibitor Complex.
Ishikawa, K., Maeno, Y., Kataoka, M.To be published.
3VVG
The Crystal Structure of Cellulase-Inhibitor Complex.
- PDB DOI: https://doi.org/10.2210/pdb3VVG/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Pyrococcus horikoshii OT3
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2012-07-24 Released: 2013-08-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.286
- R-Value Work: 0.220
- R-Value Observed: 0.223
This is version 1.1 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 |
| 458aa long hypothetical endo-1,4-beta-glucanase | 377 | Pyrococcus horikoshii OT3 | Mutation(s): 0 Gene Names: PH1171 |  | |
UniProt | |||||
Find proteins for O58925 (Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)) Explore O58925 Go to UniProtKB: O58925 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O58925 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ZGB Query on ZGB | D [auth A], F [auth A], J [auth C] | 3-(4-methoxy-3-methylphenyl)propanoic acid C11 H14 O3 ZATPJYSLVGVGGY-UHFFFAOYSA-N |  | ||
| PO4 Query on PO4 | E [auth A], G [auth B], H [auth B], I [auth B] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.286
- R-Value Work: 0.220
- R-Value Observed: 0.223
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 163.566 | α = 90 |
| b = 58.433 | β = 109.01 |
| c = 138.008 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2013-08-28 Deposition Author(s): Ishikawa, K., Maeno, Y., Kataoka, M.
Revision History (Full details and data files)
- Version 1.0: 2013-08-28
Type: Initial release - Version 1.1: 2024-11-13
Changes: Data collection, Database references, Derived calculations, Structure summary
