Download MendeleyCrystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in complex with pentane-1,5-diol
Han, X., Jian, G., Bornscheuer, U.T., Wei, R., Liu, W.To be published.
7YKO | pdb_00007yko
Crystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in complex with pentane-1,5-diol
- PDB DOI: https://doi.org/10.2210/pdb7YKO/pdb
- Classification: HYDROLASE
- Organism(s): Thermomonospora curvata DSM 43183
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2022-07-23 Released: 2023-07-26
- Funding Organization(s): Chinese Scholarship Council, Chinese Academy of Sciences
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.15 Å
- R-Value Free: 0.180 (Depositor), 0.180 (DCC)
- R-Value Work: 0.169 (Depositor), 0.170 (DCC)
- R-Value Observed: 0.170 (Depositor)
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 |
| Triacylglycerol lipase | 260 | Thermomonospora curvata DSM 43183 | Mutation(s): 0 Gene Names: Tcur_1278 EC: 3.1.1.3 (PDB Primary Data), 3.1.1.101 (UniProt), 3.1.1.74 (UniProt) |  | |
UniProt | |||||
Find proteins for D1A9G5 (Thermomonospora curvata (strain ATCC 19995 / DSM 43183 / JCM 3096 / KCTC 9072 / NBRC 15933 / NCIMB 10081 / Henssen B9)) Explore D1A9G5 Go to UniProtKB: D1A9G5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | D1A9G5 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 9JE (Subject of Investigation/LOI) Query on 9JE | B [auth A], C [auth A] | pentane-1,5-diol C5 H12 O2 ALQSHHUCVQOPAS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.15 Å
- R-Value Free: 0.180 (Depositor), 0.180 (DCC)
- R-Value Work: 0.169 (Depositor), 0.170 (DCC)
- R-Value Observed: 0.170 (Depositor)
Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 45.66 | α = 90 |
| b = 71.6 | β = 90 |
| c = 143.22 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XSCALE | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-07-26 Deposition Author(s): Han, X., Jian, G., Bornscheuer, U.T., Wei, R., Liu, W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Chinese Scholarship Council | China | -- |
| Chinese Academy of Sciences | China | -- |
Revision History (Full details and data files)
- Version 1.0: 2023-07-26
Type: Initial release - Version 1.1: 2024-10-16
Changes: Data collection, Structure summary
