1CFJ
METHYLPHOSPHONYLATED ACETYLCHOLINESTERASE (AGED) OBTAINED BY REACTION WITH O-ISOPROPYLMETHYLPHOSPHONOFLUORIDATE (GB, SARIN)
- PDB DOI: https://doi.org/10.2210/pdb1CFJ/pdb
- Classification: HYDROLASE
- Organism(s): Tetronarce californica
- Mutation(s): No
- Deposited: 1999-03-19 Released: 1999-06-25
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.247
- R-Value Work: 0.186
wwPDB Validation 3D Report Full Report
This is version 2.1 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| PROTEIN (ACETYLCHOLINESTERASE) | 537 | Tetronarce californica | Mutation(s): 0 EC: 3.1.1.7 |  | |
UniProt | |||||
Find proteins for P04058 (Tetronarce californica) Explore P04058 Go to UniProtKB: P04058 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P04058 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAG Query on NAG | B [auth A], C [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| GB Query on GB | D [auth A] | METHYLPHOSPHONIC ACID ESTER GROUP C H5 O3 P YACKEPLHDIMKIO-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.247
- R-Value Work: 0.186
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 111.395 | α = 90 |
| b = 111.395 | β = 90 |
| c = 136.623 | γ = 120 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| CNS | refinement |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 1999-06-25 Deposition Author(s): Millard, C.B., Silman, I., Sussman, J.L.
Revision History (Full details and data files)
- Version 1.0: 1999-06-25
Type: Initial release - Version 1.1: 2007-10-16
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2023-08-09
Changes: Data collection, Database references, Refinement description, Structure summary
