Download MendeleyAn Artificial Imine Reductase based on the Ribonuclease S scaffold
Genz, M., Koehler, V., Krauss, M., Singer, D., Hoffmann, R., Ward, T.R., Strater, N.(2014) ChemCatChem
4O36
Semisynthetic RNase S1-15-H7/11-Q10
- PDB DOI: https://doi.org/10.2210/pdb4O36/pdb
- Classification: HYDROLASE
- Organism(s): Bos taurus
- Mutation(s): Yes
- Deposited: 2013-12-18 Released: 2014-05-07
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.22 Å
- R-Value Free: 0.226
- R-Value Work: 0.184
- R-Value Observed: 0.185
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: Sequence | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Ribonuclease pancreatic, S-peptide | 15 | Bos taurus | Mutation(s): 3 EC: 3.1.27.5 (PDB Primary Data), 4.6.1.18 (UniProt) |  | |
UniProt | |||||
Find proteins for P61823 (Bos taurus) Explore P61823 Go to UniProtKB: P61823 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P61823 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Ribonuclease pancreatic, S-protein | 104 | Bos taurus | Mutation(s): 0 EC: 3.1.27.5 (PDB Primary Data), 4.6.1.18 (UniProt) |  | |
UniProt | |||||
Find proteins for P61823 (Bos taurus) Explore P61823 Go to UniProtKB: P61823 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P61823 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | C [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| CL Query on CL | D [auth B], E [auth B], F [auth B], G [auth B], H [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.22 Å
- R-Value Free: 0.226
- R-Value Work: 0.184
- R-Value Observed: 0.185
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.91 | α = 90 |
| b = 43.91 | β = 90 |
| c = 96.4 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
Entry History
Deposition Data
- Released Date: 2014-05-07 Deposition Author(s): Genz, M., Strater, N.
Revision History (Full details and data files)
- Version 1.0: 2014-05-07
Type: Initial release - Version 1.1: 2017-11-22
Changes: Refinement description - Version 1.2: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.3: 2024-11-20
Changes: Structure summary
