Structure of PDB 1maa Chain A Binding Site BS01

Receptor Information

>1maa Chain A (length=540) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPK
RPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWT
PYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRV
GTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGES
AGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLAR
LVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVV
DGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESL
ISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVG
DHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEF
IFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDRKSPQWPPY
TTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSAT

Ligand information

Ligand ID

DME

InChI

InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2

InChIKey

MTCUAOILFDZKCO-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
ACDLabs 10.04	C(CCCC[N+](C)(C)C)CCCCC[N+](C)(C)C

Formula

C16 H38 N2

Name

DECAMETHONIUM ION

PDB chain

1maa Chain A Residue 998 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1maa Crystal structure of mouse acetylcholinesterase. A peripheral site-occluding loop in a tetrameric assembly.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	Y72 W86 G121 Y124 S203 W286 F297 Y337 F338 Y341 H447
Binding residue (residue number reindexed from 1)	Y69 W83 G118 Y121 S200 W283 F294 Y334 F335 Y338 H444
Annotation score	2
Binding affinity	BindingDB: Ki=460nM

Enzymatic activity

Catalytic site (original residue number in PDB)	G121 G122 G154 S203 A204 G242 F297 F299 E334 H447
Catalytic site (residue number reindexed from 1)	G118 G119 G151 S200 A201 G239 F294 F296 E331 H444
Enzyme Commision number	3.1.1.7: acetylcholinesterase.

Gene Ontology

	Molecular Function
GO:0003990	acetylcholinesterase activity
GO:0004104	cholinesterase activity
GO:0005515	protein binding
GO:0005518	collagen binding
GO:0016787	hydrolase activity
GO:0017171	serine hydrolase activity
GO:0042166	acetylcholine binding
GO:0042802	identical protein binding
GO:0042803	protein homodimerization activity
GO:0043236	laminin binding
GO:0052689	carboxylic ester hydrolase activity

	Biological Process
GO:0001919	regulation of receptor recycling
GO:0002076	osteoblast development
GO:0006581	acetylcholine catabolic process
GO:0007155	cell adhesion
GO:0031623	receptor internalization
GO:0060041	retina development in camera-type eye
GO:0095500	acetylcholine receptor signaling pathway
GO:0120162	positive regulation of cold-induced thermogenesis

	Cellular Component
GO:0005576	extracellular region
GO:0005604	basement membrane
GO:0005615	extracellular space
GO:0005794	Golgi apparatus
GO:0005886	plasma membrane
GO:0009986	cell surface
GO:0016020	membrane
GO:0031594	neuromuscular junction
GO:0045202	synapse
GO:0048471	perinuclear region of cytoplasm
GO:0098552	side of membrane

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Molecular Function

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Cellular Component

External links

PDB	RCSB:1maa, PDBe:1maa, PDBj:1maa
PDBsum	1maa
PubMed	9915834
UniProt	P21836\|ACES_MOUSE Acetylcholinesterase (Gene Name=Ache)

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