Download MendeleyAcceptance and Kinetic Resolution of alpha-Methyl-Substituted Aldehydes by Norcoclaurine Synthases
Roddan, R., Gygli, G., Sula, A., Lichman, B.R., Pleiss, J., Ward, J.M., Keep, N.H., Hailes, H.C.(2019) ACS Catal
6RP3
Truncated Norcoclaurine synthase with reaction intermediate mimic
- PDB DOI: https://doi.org/10.2210/pdb6RP3/pdb
- Classification: LYASE
- Organism(s): Thalictrum flavum subsp. glaucum
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2019-05-13 Released: 2019-10-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.81 Å
- R-Value Free: 0.244
- R-Value Work: 0.194
- R-Value Observed: 0.197
This is version 1.1 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 |
| S-norcoclaurine synthase | 165 | Thalictrum flavum subsp. glaucum | Mutation(s): 0 EC: 4.2.1.78 |  | |
UniProt | |||||
Find proteins for Q67A25 (Thalictrum flavum subsp. glaucum) Explore Q67A25 Go to UniProtKB: Q67A25 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q67A25 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| KCZ (Subject of Investigation/LOI) Query on KCZ | B [auth A] | 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol C17 H21 N O2 NXTJHSKVIAFFNX-ZDUSSCGKSA-N |  | ||
| EDO Query on EDO | C [auth A], D [auth A], E [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.81 Å
- R-Value Free: 0.244
- R-Value Work: 0.194
- R-Value Observed: 0.197
- Space Group: P 32 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 62.256 | α = 90 |
| b = 62.256 | β = 90 |
| c = 73.579 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| DIALS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2019-10-09 Deposition Author(s): Keep, N.H., Roddan, R., Sula, A.
Revision History (Full details and data files)
- Version 1.0: 2019-10-09
Type: Initial release - Version 1.1: 2024-01-24
Changes: Data collection, Database references, Refinement description
