2WG0
AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (OBTAINED BY IN CRYSTALLO AGING)
- PDB DOI: https://doi.org/10.2210/pdb2WG0/pdb
- Classification: HYDROLASE
- Organism(s): Tetronarce californica
- Mutation(s): No 
- Deposited: 2009-04-15 Released: 2009-08-11 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.229 
- R-Value Work: 0.177 
- R-Value Observed: 0.180 
This is version 2.2 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 | 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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Oligosaccharides
Small Molecules
Ligands 7 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAG Query on NAG | C [auth A], D [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
MES Query on MES | G [auth A] | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID C6 H13 N O4 S SXGZJKUKBWWHRA-UHFFFAOYSA-N | |||
PG4 Query on PG4 | H [auth A] | TETRAETHYLENE GLYCOL C8 H18 O5 UWHCKJMYHZGTIT-UHFFFAOYSA-N | |||
PGE Query on PGE | I [auth A], J [auth A], K [auth A], L [auth A] | TRIETHYLENE GLYCOL C6 H14 O4 ZIBGPFATKBEMQZ-UHFFFAOYSA-N | |||
PEG Query on PEG | M [auth A] N [auth A] O [auth A] P [auth A] Q [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N | |||
GB Query on GB | F [auth A] | METHYLPHOSPHONIC ACID ESTER GROUP C H5 O3 P YACKEPLHDIMKIO-UHFFFAOYSA-N | |||
CL Query on CL | E [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.229 
- R-Value Work: 0.177 
- R-Value Observed: 0.180 
- Space Group: P 31 2 1
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 111.61 | α = 90 |
b = 111.61 | β = 90 |
c = 136.84 | γ = 120 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
XDS | data reduction |
XSCALE | data scaling |
REFMAC | phasing |
Entry History 
Deposition Data
- Released Date: 2009-08-11  Deposition Author(s): Sanson, B., Nachon, F., Colletier, J.P., Froment, M.T., Toker, L., Greenblatt, H.M., Sussman, J.L., Ashani, Y., Masson, P., Silman, I., Weik, M.
Revision History (Full details and data files)
- Version 1.0: 2009-08-11
Type: Initial release - Version 1.1: 2011-05-08
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2019-04-03
Changes: Data collection, Derived calculations, Experimental preparation, Other - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Other, Structure summary - Version 2.1: 2021-05-12
Changes: Derived calculations, Structure summary - Version 2.2: 2023-12-13
Changes: Data collection, Database references, Refinement description