Download MendeleyCrystal Structure of the ternary complex of lipase from Thermomyces lanuginosa with Ethylacetoacetate and P-nitrobenzaldehyde at 2.3 A resolution
Kumar, M., Mukherjee, J., Gupta, M.N., Sinha, M., Kaur, P., Sharma, S., Singh, T.P.To be published.
4N8S
Crystal Structure of the ternary complex of lipase from Thermomyces lanuginosa with Ethylacetoacetate and P-nitrobenzaldehyde at 2.3 A resolution
- PDB DOI: https://doi.org/10.2210/pdb4N8S/pdb
- Classification: HYDROLASE
- Organism(s): Thermomyces lanuginosus
- Mutation(s): No
- Deposited: 2013-10-18 Released: 2013-11-06
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.266
- R-Value Work: 0.221
- R-Value Observed: 0.223
Starting Model: experimental
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This is version 1.3 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 |
| Lipase | 269 | Thermomyces lanuginosus | Mutation(s): 0 EC: 3.1.1.3 |  | |
UniProt | |||||
Find proteins for O59952 (Thermomyces lanuginosus) Explore O59952 Go to UniProtKB: O59952 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O59952 | ||||
Glycosylation | |||||
| Glycosylation Sites: 1 | |||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAG Query on NAG | C [auth A], F [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| XXH Query on XXH | D [auth A], G [auth B] | 4-nitrobenzaldehyde C7 H5 N O3 BXRFQSNOROATLV-UHFFFAOYSA-N |  | ||
| EAC Query on EAC | E [auth A], H [auth B] | ethyl 3-oxobutanoate C6 H10 O3 XYIBRDXRRQCHLP-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | I [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.266
- R-Value Work: 0.221
- R-Value Observed: 0.223
- Space Group: P 61
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 140.461 | α = 90 |
| b = 140.461 | β = 90 |
| c = 80.289 | γ = 120 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| AMoRE | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2013-11-06 Deposition Author(s): Kumar, M., Mukherjee, J., Gupta, M.N., Sinha, M., Kaur, P., Sharma, S., Singh, T.P.
Revision History (Full details and data files)
- Version 1.0: 2013-11-06
Type: Initial release - Version 1.1: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.2: 2023-11-08
Changes: Data collection, Database references, Refinement description, Structure summary - Version 1.3: 2024-10-16
Changes: Structure summary
