2PGZ
Crystal structure of Cocaine bound to an ACh-Binding Protein
- PDB DOI: https://doi.org/10.2210/pdb2PGZ/pdb
- Classification: CHOLINE-BINDING PROTEIN
- Organism(s): Aplysia californica
- Expression System: Homo sapiens
- Mutation(s): No 
- Deposited: 2007-04-10 Released: 2007-07-03 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.76 Å
- R-Value Free: 0.210 
- R-Value Work: 0.180 
- R-Value Observed: 0.180 
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 |
Soluble acetylcholine receptor | 230 | Aplysia californica | Mutation(s): 0  Gene Names: synthetic | ||
UniProt | |||||
Find proteins for Q8WSF8 (Aplysia californica) Explore Q8WSF8  Go to UniProtKB:  Q8WSF8 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q8WSF8 | ||||
Sequence AnnotationsExpand | |||||
|
Oligosaccharides
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | F | 5 | N-Glycosylation | ||
Glycosylation Resources | |||||
GlyTouCan:  G22768VO GlyCosmos:  G22768VO GlyGen:  G22768VO |
Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
COC Query on COC | G [auth A], K [auth D] | COCAINE C17 H21 N O4 ZPUCINDJVBIVPJ-LJISPDSOSA-N | |||
NAG Query on NAG | H [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
PG4 Query on PG4 | I [auth B], J [auth C], L [auth E] | TETRAETHYLENE GLYCOL C8 H18 O5 UWHCKJMYHZGTIT-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.76 Å
- R-Value Free: 0.210 
- R-Value Work: 0.180 
- R-Value Observed: 0.180 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 86.822 | α = 90 |
b = 115.589 | β = 90 |
c = 130.879 | γ = 90 |
Software Name | Purpose |
---|---|
DENZO | data reduction |
SCALEPACK | data scaling |
REFMAC | refinement |
PDB_EXTRACT | data extraction |
ADSC | data collection |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
AMoRE | phasing |
Entry History 
Deposition Data
- Released Date: 2007-07-03  Deposition Author(s): Hansen, S.B., Taylor, P.
Revision History (Full details and data files)
- Version 1.0: 2007-07-03
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Advisory, Version format compliance - Version 1.3: 2017-10-18
Changes: Refinement description, Structure summary - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Database references, Derived calculations, Structure summary - Version 2.1: 2023-08-30
Changes: Data collection, Database references, Refinement description, Structure summary