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- PDB-1acj: QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1acj | ||||||
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Title | QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE | ||||||
![]() | ACETYLCHOLINESTERASE | ||||||
![]() | HYDROLASE(CARBOXYLIC ESTERASE) | ||||||
Function / homology | ![]() acetylcholine catabolic process in synaptic cleft / acetylcholinesterase / acetylcholinesterase activity / choline metabolic process / side of membrane / synaptic cleft / synapse / extracellular space / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Sussman, J.L. / Harel, M. / Silman, I. | ||||||
![]() | ![]() Title: Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase. Authors: Harel, M. / Schalk, I. / Ehret-Sabatier, L. / Bouet, F. / Goeldner, M. / Hirth, C. / Axelsen, P.H. / Silman, I. / Sussman, J.L. #1: ![]() Title: Atomic Structure of Acetylcholinesterase from Torpedo Californica: A Prototypic Acetylcholine-Binding Protein Authors: Sussman, J. / Harel, M. / Frolow, F. / Oefner, C. / Goldman, A. / Toker, L. / Silman, I. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 115.4 KB | Display | ![]() |
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PDB format | ![]() | 89.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 432.4 KB | Display | ![]() |
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Full document | ![]() | 437.1 KB | Display | |
Data in XML | ![]() | 20.7 KB | Display | |
Data in CIF | ![]() | 29.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO 104 2: RESIDUE THA 999 IS BOUND NON-COVALENTLY IN THE ACTIVE SITE. |
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Components
#1: Protein | Mass: 60792.516 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() References: UniProt: P04058, acetylcholinesterase |
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#2: Chemical | ChemComp-THA / |
#3: Water | ChemComp-HOH / |
Nonpolymer details | RESIDUE THA 999 IS BOUND NON-COVALENTLY |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.24 Å3/Da / Density % sol: 70.97 % | |||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 7.4 / Method: microdialysis | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
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Processing
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Refinement | Resolution: 2.8→8 Å / σ(F): 0 Details: THE STRUCTURE WAS REFINED STARTING FROM NATIVE COORDINATES USING X-PLOR. 82 WATER MOLECULES ARE INCLUDED.
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Refinement step | Cycle: LAST / Resolution: 2.8→8 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.195 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |