Download MendeleyAs (III) S-adenosylmethyltransferase cysteine mutant C72A bound Phenylarsine oxide (PhAs(III) in the arsenic binding site
Packianathan, C., Marapakala, K., Kandavelu, P., Rosen, B.P.To be published.
5EG5
As (III) S-adenosylmethyltransferase cysteine mutant C72A bound Phenylarsine oxide (PhAs(III) in the arsenic binding site
- PDB DOI: https://doi.org/10.2210/pdb5EG5/pdb
- Classification: TRANSFERASE
- Organism(s): Cyanidioschyzon sp. 5508
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2015-10-26 Released: 2016-11-02
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.97 Å
- R-Value Free: 0.250
- R-Value Work: 0.195
- R-Value Observed: 0.198
Starting Model: experimental
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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 |
| Arsenic methyltransferase | 377 | Cyanidioschyzon sp. 5508 | Mutation(s): 1 Gene Names: arsM |  | |
UniProt | |||||
Find proteins for C0JV69 (Cyanidioschyzon sp. 5508) Explore C0JV69 Go to UniProtKB: C0JV69 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | C0JV69 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PA0 Query on PA0 | B [auth A] | Phenylarsine oxide C6 H5 As O BQVCCPGCDUSGOE-UHFFFAOYSA-N |  | ||
| CA Query on CA | C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.97 Å
- R-Value Free: 0.250
- R-Value Work: 0.195
- R-Value Observed: 0.198
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 85.255 | α = 90 |
| b = 47.369 | β = 113.59 |
| c = 100.261 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2016-11-02 Deposition Author(s): Packianathan, C., Marapakala, K., Kandavelu, P., Rosen, B.P.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | R37GM55425 |
Revision History (Full details and data files)
- Version 1.0: 2016-11-02
Type: Initial release - Version 1.1: 2017-09-20
Changes: Author supporting evidence, Derived calculations - Version 1.2: 2019-12-25
Changes: Author supporting evidence - Version 1.3: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description
