Download MendeleyDRoP: A program for analysis of water structure on protein surfaces
Kearney, B.M., Roberts, D., Dechene, M., Swartz, P.D., Mattos, C.To be published.
4J69
Crystal structure of Ribonuclease A soaked in 50% S,R,S-bisfuranol: One of twelve in MSCS set
- PDB DOI: https://doi.org/10.2210/pdb4J69/pdb
- Classification: HYDROLASE
- Organism(s): Bos taurus
- Mutation(s): No
- Deposited: 2013-02-11 Released: 2014-01-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.89 Å
- R-Value Free: 0.222
- R-Value Work: 0.192
- R-Value Observed: 0.195
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.3 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 |
| Ribonuclease pancreatic | 124 | 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 | |
| RSG Query on RSG | D [auth A] E [auth A] F [auth A] G [auth A] H [auth A] | (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol C6 H10 O3 RCDXYCHYMULCDZ-PBXRRBTRSA-N |  | ||
| SO4 Query on SO4 | B [auth A], C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.89 Å
- R-Value Free: 0.222
- R-Value Work: 0.192
- R-Value Observed: 0.195
- Space Group: P 32 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 64.07 | α = 90 |
| b = 64.07 | β = 90 |
| c = 64.073 | γ = 120 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2014-01-22 Deposition Author(s): Kearney, B.M., Dechene, M., Swartz, P.D., Mattos, C.
Revision History (Full details and data files)
- Version 1.0: 2014-01-22
Type: Initial release - Version 1.1: 2017-11-15
Changes: Refinement description - Version 1.2: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.3: 2024-11-27
Changes: Structure summary
