Download MendeleyAtHNL enantioselectivity mutants
Jones, B.J., Desrouleaux, R., Kazlauskas, R.J.To be published.
6COI
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE
- PDB DOI: https://doi.org/10.2210/pdb6COI/pdb
- Classification: LYASE
- Organism(s): Arabidopsis thaliana
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2018-03-12 Released: 2019-03-20
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.02 ?
- R-Value Free: 0.258
- R-Value Work: 0.190
- R-Value Observed: 0.193
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
This is version 1.3 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Alpha-hydroxynitrile lyase | 260 | Arabidopsis thaliana | Mutation(s): 6 Gene Names: HNL, MES5, At5g10300, F18D22_70 EC: 4.1.2.10 |  | |
UniProt | |||||
Find proteins for Q9LFT6 (Arabidopsis thaliana) Explore Q9LFT6 Go to UniProtKB: Q9LFT6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9LFT6 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MNN Query on MNN | I [auth B] | (S)-MANDELIC ACID NITRILE C8 H7 N O NNICRUQPODTGRU-MRVPVSSYSA-N |  | ||
| MXN Query on MXN | H [auth B] | (2R)-hydroxy(phenyl)ethanenitrile C8 H7 N O NNICRUQPODTGRU-QMMMGPOBSA-N |  | ||
| HBX Query on HBX | E [auth A], F [auth A], G [auth B] | benzaldehyde C7 H6 O HUMNYLRZRPPJDN-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CYN Query on CYN | D [auth A] | CYANIDE ION C N XFXPMWWXUTWYJX-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.02 ?
- R-Value Free: 0.258
- R-Value Work: 0.190
- R-Value Observed: 0.193
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 49.917 | α = 90 |
| b = 86.943 | β = 90 |
| c = 122.982 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| DENZO | data reduction |
| HKL-2000 | data scaling |
| PDB_EXTRACT | data extraction |
| REFMAC | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-03-20 Deposition Author(s): Jones, B.J., Kazlauskas, R.J., Desrouleaux, R.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | 5R01GM102205 |
Revision History (Full details and data files)
- Version 1.0: 2019-03-20
Type: Initial release - Version 1.1: 2019-04-10
Changes: Author supporting evidence, Data collection - Version 1.2: 2020-01-01
Changes: Author supporting evidence - Version 1.3: 2023-10-04
Changes: Data collection, Database references, Refinement description
