triangle PDBeMotif: 1amn  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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coner
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Enzyme   3.1.1.7
Classification hydrolase (serine esterase)    | release date: Tue, Feb 13, 1996
Title transition state analog: acetylcholinesterase complexed with m-(n,n,n-trimethylammonio)trifluoroacetophenone
Authors I.SILMAN, J.L.SUSSMAN, M.HAREL
Method X-RAY DIFFRACTION (resolution: 2.80Å)
PDBe Citation   
Small molecules:    search NAF NAF binding statistics NAF   search SO4 SO4 binding statistics SO4
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSG
SEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHG
SQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAE
GRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQIL
LGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNV
ICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTG
NPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATAC
Residue colours:  hydrophilic   hydrophobic   intermediate 
Assembly 1     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : ACETYLCHOLINESTERASE
member of: CATH:search3.40.50.1820GENE3D:searchG3DSA_3.40.50.1820PANTHER:searchPTHR11559/searchPTHR11559_SF171PFAM:searchPF00135PRINTS:searchACHEFISH/searchCHOLNESTRASEPROSITE PATTERNS:searchPS00122/searchPS00941, SUPERFAMILY:searchSSF53474UniProt:searchP04058
JMol viewer RasMol script viewer  NAF 594A  ..                                                                                *                                 ** *                                                                             ***                               *                                                      * *                                        *                                                                                                            *                                            ..NAF ..                                             
JMol viewer RasMol script viewer  SO4 593A  ..                                                                                |                                 || |                                                                             |||                               |                                                      * |                                        *  *                                                                                                         |                                            ..SO4 ..                                             
sec str:  .....eeee..eeee.eeeee..eeeeeeeeee......hhh...................................hhhh.............eeeeee.........eeeee............hhh..hhhhhhh..eeee.....hhhhh............hhhhhhhhhhhhhhhhhhhh......eeeeee.hhhhhhhhhhh....hhh..eeeee.........eeehhhhhhhhhhhhhhh......hhhhhhhhhh..hhhhhh.hhhh............eee........hhhhhh........eeeeee....hhhhhhh.............hhhhhhhhhhh.....hhhhhhhhhhh..hhh...hhhhhhhhhhhhhhhh.hhhhhhhhhhhh.....eeeeee..........hhh.......hhhh..hhh.hhh...hhhhhhhhhhhhhhhhhhhh........ .............eeeee......eee...hhhhhhhh.hhhhh...
sequence :  ..SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNE... ..SKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNA
seq num:  ..4         14        24        34        44        54        64        74        84        94        104       114       124       134       144       154       164       174       184       194       204       214       224       234       244       254       264       274       284       294       304       314       324       334       344       354       364       374       384       394       404       414       424       434       444       454       464       474        ... ..490       500       510       520       530  
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..|  |  | |||       |  |    | ||   || || || |         |  ^***            |  ||  |  |  |  |||| |     || |            |||||||| ||  | |  |  | |     | |  || ||  | | |   ||||||  ||  |  | || |||| |||     |||| || ||      |  |        |  ||  | | || || ||| |||||||  || |||||||||         |  |   |  |       ||||  |  |    | |             |     |  |  ||  |||| | ||| ||| |||  || ||||| ||  |      | |  |  ||   |  |        |  ||  |^***       |  | | |  | |||||  |||||  || |^*** || |||||         | | | ..PS00001..      | || |    | |        ||| ||      |  |^*
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..|  |  | ^**       |  |    | ||   || || || |         |    |             |  ||  |  |  |  |||| |     |^**            |||||||| ||  | |  |  | |     ^**  || ||  | | |   ||||||  ||  |  | || |||| |||     |||| || ||      |  |        |  ||  | | || || ||| |||||||  || |||||||||         |  |   |  |       ||||  |  |    | |             |     |  |  ||  |||| | ||| ||| |||  || ||||| ||  |      | |  |  ||   |  |        |  ||  |           |  | | |  | |||||  |||||  || ||||  || |^**|         | | | ..PS00005..      ^**| |    | |        ||| ||      |  |  
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..|  |  | |||       |  |    | ||   || || || |         |    |             |  |^***  |  |  |||| |     |               |||||||^***  | |  |  | |          || ||  | | |   ||||||  ||  |  | || |||| |||     |||| || ||      |  |        |  ||  | ^*** || ||| |||||||  ^***||||||||         |  |   |  |       ||||  ^***    | |             |     |  |  ||  |||| ^***| ||| |||  || ||||| ||  |      | |  |  ||   |  |        |  ||  |           |  | | |  | |||||  |||||  || |||^***| ||| |         | | | ..PS00006..      ^*** |    | |        ||| ||      |  |  
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..|  |  | |||       |  |    | ||   || || || |         |    |             |  |   |  |  ********^     |               |||||||  ||  | |  |  | |          || ||  | | |   ||||||  ||  |  | || |||| |||     |||| || ||      |  |        |  ||  |   || || ||| |||||||  || |||||||||         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | | ||| |||  || ||||| ||  |      | |  |  ||   |  |        |  ||  |           |  | | |  | |||||  |||||  || |||   || ||| |         | | | ..PS00007..         | |    | |        ||| ||      |  |  
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..|  |  | |||       |  |    | ^*****| || || |         ^*****             |  |   |  |     |||| |     |               ^*****|  ||  | |  |  | |          || ||  | | |   ||||||  ||  |  | || |||| |||     |||^*****|      |  |        |  ||  |   || || ||| |||||||  || |||||||||         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | | |^*****  || ||||| ||  |      | |  |  ||   |  |        |  ||  |           |  | | |  ^*****|  |||||  || |||   || ||| |         | | | ..PS00008..         | |    | |        ||| ||      |  |  
search RasMol script viewer Motif-ligand binding stats  AMIDATION ..|  |  | |||       |  |    |  |    | || || |                            |  |   |  |     |||| |     |               ||||| |  ||  | |  |  | |          || ||  | | |   ||||||  ||  |  | || |||| |||     |||  || ||      |  |        |  ||  |   |^*** ||| |||||||  || |||||||||         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | | ||| |||  || ||||| ||  |      | |  |  ||   |  |        |  ||  |           |  | | |  | |||||  |||||  || |||   || ||| |         | | | ..PS00009..         | |    | |        ||| ||      |  |  
search RasMol script viewer Motif-ligand binding stats  CARBOXYLESTERASE_B_1 ..|  |  | |||       |  |    |  |    | || || |                            |  |   |  |     |||| |     |               ||||| |  ||  | |  |  | |          || ||  | | |   ||||||  ||  |  | || *************^**  || ||      |  |        |  ||  |   |  || ||| |||||||  || |||||||||         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | | ||| |||  || ||||| ||  |      | |  |  ||   |  |        |  ||  |           |  | | |  | |||||  |||||  || |||   || ||| |         | | | ..PS00122..         | |    | |        ||| ||      |  |  
search RasMol script viewer Motif-ligand binding stats  CARBOXYLESTERASE_B_2 ..|  |  | |||       |  |    |  |    | || || |                            |  |   |  |     |**^********               ||||| |  ||  | |  |  | |          || ||  | | |   ||||||  ||  |  | || |||| |||     |||  || ||      |  |        |  ||  |   |  || ||| |||||||  || |||||||||         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | | ||| |||  || ||||| ||  |      | |  |  ||   |  |        |  ||  |           |  | | |  | |||||  |||||  || |||   || ||| |         | | | ..PS00941..         | |    | |        ||| ||      |  |  
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..|  |  | |||       |  |    |  |    | || || |                            |  |   |  |     | || |                     ||||| |  ||  | |  |  | |          || ||  | | |   **********  |  | || |||| |||     ||********      |  |        |  ||  |   *************||||  ************         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | ********|  |**********  |      | |  *****   |  |        *****  |           |  | | |  | ||||*****|||  || |||   |***** |         | | | ..alphabetamotif..         | |    | |        |*****      |  |  
search RasMol script viewer Motif-ligand binding stats  asxmotif ..|  |  | |||       |  |    |  |    | || || |                            |  |   |  |     | || |                     ||||| |  ||  | |  |  | |          || ||  | | |   ||||||  |   |  | || |||*****     |||  |  |       |  |        |  ||  |   |  |  | | || ||||  || || ||||||         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | | ||  | |  |*****|  ||  |      | |  |  |    |  |        |  ||  |           |  | | |  | |||||  | |||  || |||   || ||  |         | | | ..asxmotif..         | |    | |        ||| |       |  |  
search RasMol script viewer Motif-ligand binding stats  asxturn ..|  |  | |||       |  |    |  |    | || || |                            |  |   |  |     | || |                     ||||| |  ||  | |  |  | |          || ||  | | |   ||||||  |   |  | || |||***|      |||  |  |       |  |        |  ||  |   |  |  | | || ||||  || || ||||||         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | | ||  | |  || || |  ||  |      ***  |  |    |  |        |  ||  |           |  | | |  | |||||  | |||  || |||   || ||  |         | *** ..asxturn..         | |    ***        ||| |       |  |  
search RasMol script viewer Motif-ligand binding stats  betaturn ..|  |  ****|       ****    |  |    | |**** |                            ****   ****     | || |                     ****| |  ||  | ****  | |          ****|  | | |   *********   **** |****|****      ||*******       |  |        |  ||  |   ******* *******||  ***********|         |  |   |  |       ||||          | |             |     |  |  ||  ||||   | ******* *************|  |        *******    ****        ****|  |           **** | **** ******** |||  |****|   ********         | | | ..betaturn..         | |    | |        |****       ****  
search RasMol script viewer Motif-ligand binding stats  gammaturn ..|  |  | | |               |  |    ***| || |                            |  |   |  |     | |***                     ||| | |  ||  |       | |           |  |  | | |   | |              |  | |          ||              |  |        |  ||  |             |  | ||  |       |  |         |  |   |  |       ||||          | |             |     |  |  ||  ||||   |   |     |  |         |  |                                   |  |           |  | |       || |    |||  |  | |                    | | | ..gammaturn..         | |    | |        | |               
search RasMol script viewer Motif-ligand binding stats  nest ..|  |  | | |               |  |    | || || |                            |  |   |  |     | |                        ||*** |  ||  |       ***           |  |  | | |   ***              |  ***          ||              |  |        |  ||  |             |  ***|  |       |  |         |  |   |  |       ****          ***             |     |  |  ||  |***   |   |     |  |         |  |                                   |  |           |  | |       |***    ***  |  ***                    *** | ..nest..         ***    | |        ***               
search RasMol script viewer Motif-ligand binding stats  niche ..****  | | |               ****    *********                            ****   ****     | |                        ||    ********                     ****  *** |                    |    |          ||              ****        ********             |    |****       ****         ****   ****                                     |     *********** |    |   |     ****         ****                                   ****           ******       |        |****                           *** ..niche..                ***                          
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..      | | |                                                                            | |                        ||                                         | |                    ******          ||                                               ******                                                                        |            |    |    |   |                                                                                     |        |                                   ..schellmannloop..                                             
search RasMol script viewer Motif-ligand binding stats  stmotif ..      *****                                                                            | |                        ||                                         | |                                    ||                                                                                                                             |            |    |    |   |                                                                                     |        |                                   ..stmotif..                                             
search RasMol script viewer Motif-ligand binding stats  ststaple ..      | |                                                                              | |                        ||                                         | |                                    ||                                                                                                                             |            ******    *****                                                                                     |        |                                   ..ststaple..                                             
search RasMol script viewer Motif-ligand binding stats  stturn ..      ***                                                                              ***                        ||                                         ***                                    ||                                                                                                                             |                                                                                                                |        |                                   ..stturn..                                             
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                  **                                                                                **                                                                                                                             *                                                                                                                *        *                                   ..REP00000..                                             

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