1XLW
Diethylphosphorylated Butyrylcholinesterase (Nonaged) Obtained By Reaction With Echothiophate
- PDB DOI: https://doi.org/10.2210/pdb1XLW/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Cricetulus griseus
- Mutation(s): Yes 
- Deposited: 2004-09-30 Released: 2005-02-01 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.223 
- R-Value Work: 0.184 
- R-Value Observed: 0.186 
This is version 2.3 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
BUTYRYLCHOLINESTERASE | 529 | Homo sapiens | Mutation(s): 4  EC: 3.1.1.8 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P06276 (Homo sapiens) Explore P06276  Go to UniProtKB:  P06276 | |||||
PHAROS:  P06276 GTEx:  ENSG00000114200  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P06276 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | B | 3 | N-Glycosylation | ||
Glycosylation Resources | |||||
GlyTouCan:  G28454KX GlyCosmos:  G28454KX GlyGen:  G28454KX |
Small Molecules
Ligands 5 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAG Query on NAG | E [auth A], F [auth A], G [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
DEP Query on DEP | N [auth A] | DIETHYL PHOSPHONATE C4 H11 O3 P MJUJXFBTEFXVKU-UHFFFAOYSA-N | |||
SO4 Query on SO4 | H [auth A], I [auth A], J [auth A], K [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
GOL Query on GOL | O [auth A], P [auth A], Q [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
CL Query on CL | L [auth A], M [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Modified Residues 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Type | Formula | 2D Diagram | Parent |
CSS Query on CSS | A | L-PEPTIDE LINKING | C3 H7 N O2 S2 | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.223 
- R-Value Work: 0.184 
- R-Value Observed: 0.186 
- Space Group: I 4 2 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 154.463 | α = 90 |
b = 154.463 | β = 90 |
c = 127.011 | γ = 90 |
Software Name | Purpose |
---|---|
SCALEPACK | data scaling |
AMoRE | phasing |
REFMAC | refinement |
Entry History 
Deposition Data
- Released Date: 2005-02-01  Deposition Author(s): Nachon, F., Asojo, O.A., Borgstahl, G.E.O., Masson, P., Lockridge, O.
Revision History (Full details and data files)
- Version 1.0: 2005-02-01
Type: Initial release - Version 1.1: 2008-04-30
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 1.3: 2017-10-11
Changes: Refinement description - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Structure summary - Version 2.1: 2021-10-20
Changes: Database references, Derived calculations, Structure summary - Version 2.2: 2023-08-23
Changes: Data collection, Refinement description - Version 2.3: 2023-11-15
Changes: Data collection