Download MendeleySTRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BUTYL 4-NITROPHENYL HEXYLPHOSPHONATE
Cea-Rama, I., Sanz-Aparicio, J.To be published.
6I8D
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BUTYL 4-NITROPHENYL HEXYLPHOSPHONATE
- PDB DOI: https://doi.org/10.2210/pdb6I8D/pdb
- Classification: HYDROLASE
- Organism(s): metagenome
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2018-11-20 Released: 2019-11-27
- Funding Organization(s): Spanish Ministry of Economy and Competitiveness
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.20 ?
- R-Value Free: 0.276
- R-Value Work: 0.227
- R-Value Observed: 0.230
Starting Model: experimental
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This is version 2.2 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 |
| EH1AB1 | 329 | metagenome | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| H7N Query on H7N | C [auth A], D [auth A], H [auth B], I [auth B] | butoxy(hexyl)phosphinic acid C10 H23 O3 P ALZDUSNEVXETKK-UHFFFAOYSA-N |  | ||
| PEG Query on PEG | E [auth A], F [auth A], J [auth B] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | G [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.20 ?
- R-Value Free: 0.276
- R-Value Work: 0.227
- R-Value Observed: 0.230
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 85.25 | ¦Á = 90 |
| b = 88.161 | ¦Â = 90 |
| c = 98.498 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-11-27 Deposition Author(s): Cea-Rama, I., Sanz-Aparicio, J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Spanish Ministry of Economy and Competitiveness | Spain | Project BIO2016-76601-C3-3-R |
Revision History (Full details and data files)
- Version 1.0: 2019-11-27
Type: Initial release - Version 2.0: 2020-09-30
Changes: Advisory, Atomic model, Database references, Derived calculations, Polymer sequence, Source and taxonomy, Structure summary - Version 2.1: 2024-01-24
Changes: Data collection, Database references, Refinement description - Version 2.2: 2024-10-16
Changes: Structure summary
