4BC1
Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct
- PDB DOI: https://doi.org/10.2210/pdb4BC1/pdb
- Classification: HYDROLASE
- Organism(s): Mus musculus
- Expression System: Cricetulus griseus
- Mutation(s): No 
- Deposited: 2012-09-30 Released: 2013-02-06 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.95 Å
- R-Value Free: 0.238 
- R-Value Work: 0.186 
- R-Value Observed: 0.188 
This is version 1.3 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 |
ACETYLCHOLINESTERASE | 543 | Mus musculus | Mutation(s): 0  EC: 3.1.1.7 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P21836 (Mus musculus) Explore P21836  Go to UniProtKB:  P21836 | |||||
IMPC:  MGI:87876 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P21836 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
Ligands 4 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
TQV Query on TQV | E [auth A], FA [auth D], P [auth B], W [auth C] | O-CRESYL-SALIGENIN PHOSPHATE C14 H15 O5 P IZFXZRKTLPZKSA-UHFFFAOYSA-N | |||
NAG Query on NAG | F [auth A] GA [auth D] HA [auth D] IA [auth D] Q [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
SO4 Query on SO4 | BA [auth C] CA [auth C] DA [auth C] H [auth A] I [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
CL Query on CL | AA [auth C] EA [auth C] G [auth A] JA [auth D] N [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.95 Å
- R-Value Free: 0.238 
- R-Value Work: 0.186 
- R-Value Observed: 0.188 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 135.54 | α = 90 |
b = 173.25 | β = 90 |
c = 224.94 | γ = 90 |
Software Name | Purpose |
---|---|
PHENIX | refinement |
XDS | data reduction |
XSCALE | data scaling |
MOLREP | phasing |
Entry History 
Deposition Data
- Released Date: 2013-02-06  Deposition Author(s): Carletti, E., Colletier, J.-P., Schopfer, L.M., Santoni, G., Masson, P., Lockridge, O., Nachon, F., Weik, M.
Revision History (Full details and data files)
- Version 1.0: 2013-02-06
Type: Initial release - Version 1.1: 2013-02-27
Changes: Database references - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Other, Structure summary - Version 1.3: 2023-12-20
Changes: Data collection, Database references, Refinement description, Structure summary