triangle PDBeMotif: 2c5f  
  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    | release date: Thu, Oct 27, 2005
Title torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate analogue, 4-oxo-n,n,n- trimethylpentanaminium
Authors D.FOURNIER, G.ZACCAI, H.M.GREENBLATT, I.SILMAN, J.L.SUSSMAN, J.P.COLLETIER, M.WEIK
Method X-RAY DIFFRACTION (resolution: 2.60Å)
PDBe Citation   
Small molecules:    search NAG NAG binding statistics NAG   search CHH CHH binding statistics CHH   search PGE PGE binding statistics PGE   search NDG NDG binding statistics NDG   search NWA NWA binding statistics NWA
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  CHH 1542A  ..                                                                  *                                                  *                                                                                                                                                             *                                                   *                                                                                                                                                                                                             
JMol viewer RasMol script viewer  NWA 1541A  ..                                                                  |             *                                 ** |                                                                             ***                                                                             |                                                   |                                                                                                            *                                                                                                
JMol viewer RasMol script viewer  PGE 1540A  ..                                                                  |             |                                 || |                                                                             |||                                             *  ** *                         |                                                   |                                                                                                            |                                                                                                
JMol viewer RasMol script viewer  PGE 1539A  ..                                                                  |             |                                 || |                                                                             |||                                             |  || |                         |                                                   |                                          ****                                                              |                                                                                                
JMol viewer RasMol script viewer  PGE 1538A  ..                                                                  |             |                                 || |                                                                             |||                                             |  || |                         |                                              *    |                                          ||||           *                                                  |                                                                                                
JMol viewer RasMol script viewer  NDG 1537A  ..                                                       * **       |             |                                 || |                                                                             |||                                             |  || |                         |                                              |    |                                          ||||           |                                                  |                                                                                                
JMol viewer RasMol script viewer  NAG 1536A  ..                                                       | ||       |             |                                 || |                                                                             |||                                             |  || |                         |                                              |    |                                          ||||           |                          **                      |                                                                                                
sec str:  .....eeee..eeee.eeee....eeeeeeeee.....hhhhh............eee..................hhhhhh............eeeeee.......eeeeeee...........hhhhhhhhhhhhhh.eeee....hhhhhhh..........hhhhhhhhhhhhhhhhhhhhh.eeeeeeeeeeehhhhhhhhhhhhh..hhhhh.eeeee...........hhhhhhhhhhhhhhhh.....hhhhhhhhhhhhhhhhhhhhhhhhh.....................hhhhhhhhh......eeeeee...hhhhhhhhh...........hhhhhhhhhhhhh...hhhhhhhhhhhh.......hhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.....eeeeee.........hhhhh.....hhhhhhhhhhhhhhh.hhhhhhhhhhhhhhhhhhhhhh....................eeeee......eee..hhhhhhhhhhhhhhhhhhh.
sequence :  ..SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATA
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       484       494       504       514       524          
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..| ||  | | |               | ||   || || || |         |  ^***         | ||  ||  |  |  |  |||| |     || |            |||||||| ||  | |     | |     | |   |  | |  | |   | |||            || |||| |       |||||   ||  |  ||  |        |  || || |  |  |        | || ||  ||  || ||         |  |   |  |       ||||  || |||  | |             |     |  |  ||  |||| |  |   |    |  |        ||  |   |  | |                      |   |  |^***       |  | |    |  ||||    |||  |  |^*** |   | |  |   |   | | |   | |      | || |    | |        | |           | ^***
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..| ||  | ^**               | ||   || || || |         |    |          | ||  ||  |  |  |  |||| |     |^**            |||||||| ||  | |     | |     ^**   |  | |  | |   | |||            || |||| |       |||||   ||  |  ||  |        |  || || |  |  |        | || ||  ||  || ||         |  |   |  |       ||||  || |||  | |             |     |  |  ||  |||| |  |   |    |  |        ||  |   |  | |                      |   |  |           |  | |    |  ||||    |||  |  | ||  |   ^**  |   |   | | |   | |      ^**| |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..| ||  | |                 | ||   || || || |         |    |          | ||  |^***  |  |  |||| |     |               |||||||^***  | |     | |           |  | |  | |   | |||            || |||| |       |||||   ||  |  ||  |        |  || || ^***  |        | || |^***|  || ||         |  |   |  |       ||||  ^***||  | |             |     |  |  ||  |||| ^***   |    |  |        ||  |   |  | |                      |   |  |           |  | |    |  ||||    |||  |  | |^***        |   |   | | |   | |      ^*** |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..| ||  | |                 | ||   || || || |         |    |          | ||  |   |  |  ********^     |               |||||||  ||  | |     | |           |  | |  | |   | |||            || |||| |       |||||   ||  |  ||  |        |  || ||    |  |        | || ||   |  || ||         |  |   |  |       ||||   |  ||  | |             |     |  |  ||  ||||        |    |  |        ||  |   |  | |                      |   |  |           |  | |    |  ||||    |||  |  | |            |   |   | | |   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..| ||  | |                 | ^*****| || || |         ^*****          | ||  |   |  |     ||||       |               ^*****|  ||  | |     | |           |  | |  | |   | |||            || |||| |       |||^*****|  |  ||  |        |  || ||    |  |        | || ||   |  || ||         |  |   |  |       ||||   |  ||  | |             |     |  |  ||  ||||        ^*****  |        ||  |   |  | |                      |   |  |           |  | |    ^*****|    |||  |  | |            |   |   | | |   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  AMIDATION ..| ||  | |                 |  |    | || || |                         | ||  |   |  |     ||||       |               ||||| |  ||  | |     | |           |  | |  | |   | |||            || |||| |       |||||    |  |  ||  |        |  || ||    ^***        | || ||   |  || ||         |  |   |  |       ||||   |  ||  | |             |     |  |  ||  ||||             |  |        ||  |   |  | |                      |   |  |           |  | |       || |    |||  |  | |            |   |   | | |   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  CARBOXYLESTERASE_B_1 ..| ||  | |                 |  |    | || || |                         | ||  |   |  |     ||||       |               ||||| |  ||  | |     | |           |  | |  | |   | |||            || *************^**||    |  |  ||  |        |  || ||                | || ||   |  || ||         |  |   |  |       ||||   |  ||  | |             |     |  |  ||  ||||             |  |        ||  |   |  | |                      |   |  |           |  | |       || |    |||  |  | |            |   |   | | |   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  CARBOXYLESTERASE_B_2 ..| ||  | |                 |  |    | || || |                         | ||  |   |  |     |**^********               ||||| |  ||  | |     | |           |  | |  | |   | |||            || |||| |       || ||    |  |  ||  |        |  || ||                | || ||   |  || ||         |  |   |  |       ||||   |  ||  | |             |     |  |  ||  ||||             |  |        ||  |   |  | |                      |   |  |           |  | |       || |    |||  |  | |            |   |   | | |   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..| ||  | |                 |  |    | || || |                         | ||  |   |  |     | |                        ||||| |  ||  | |     | |           |  | |  | |   *****            || |||| |       *****    |  *****  |        |  || ||                | || ||   |  || ||         |  |   |  |       ||||   |  ||  | |             |     |  |  ||  ||||             |  |        ||  |   |  | |                      |   |  |           |  | |       || |    |||  |  | |            |   |   | | |   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  asxturn ..| ||  | |                 |  |    | || || |                         ***|  |   |  |     | |                        ||||| |  ||  ***     | |           |  | |  | |   | ||             || |||***       || |     |  |  ||  |        |  || ||                | |***|   |  || ||         |  |   |  |       ***|   |  ||  | |             |     |  |  ||  ||||             |  |        ||  |   |  ***                      |   |  |           |  | |       || |    |||  |  | |            |   |   | ***   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  betaturn ..| ||  | |                 |  |    | || || |                            ****   |  |     | |                        ****| |  ||  |       | |           |  | **** |   ****             *****|          ****     |  ****|  |        |  ****|                | |   |   |  ****|         |  |   |  |       ||||   |  ||  | |             |     |  |  ||  ||||             |  |        ||  |   |  |                        |   |  |           |  | |       || |    |||  **** |            |   |   | | |   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  gammaturn ..| ||  | |                 |  |    ***| || |                            |  |   |  |     | |                        ||| | |  ||  |       | |           |  | |  | |   | |              |  | |          ||       |  |   |  |        |  ||  |                | |   |   |   |  |         |  |   |  |       ||||   |  ||  | |             |     |  |  ||  ||||             |  |        ||  |   |  |                        |   |  |           |  | |       || |    |||  |  | |            |   |   | | |   | |         | |    | |        | |           |   | 
search RasMol script viewer Motif-ligand binding stats  nest ..| ||  | |                 |  |       | || |                            |  |   |  |     | |                        ||*** |  ||  |       ***           |  | |  | |   ***              |  ***          ||       |  |   |  |        |  ||  |                ***   |   |   |  |         |  |   |  |       ****   |  ||  ***             |     |  |  ||  |***             |  |        ||  |   |  |                        |   |  |           |  | |       |***    ***  |  ***            |   |   *** |   | |         ***    | |        ***           |   | 
search RasMol script viewer Motif-ligand binding stats  niche ..****  | |                 ****       ******                            ****   ****     | |                        ||    ********                     **** **** |                    |    |          ||       ****   ****        ********                      |   |   ****         ****   ****              |  ||  |               |     *********** |              ****        |****   ****                        |   ****           ******       |        |****                 |   |   | ***   ***                ***                      |   | 
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..| |   | |                                                                              | |                        ||                                         | |                    ******          ||                                                        |   |                                         |  ||  |               |            |  | |                          |   |                               |   |                           |        |                     |   |   | |     | |                                         |   | 
search RasMol script viewer Motif-ligand binding stats  stmotif ..| |   | |                                                                              | |                        ||                                         | |                                    ||                                                        *****                                         *****  |               |            |  | |                          |   |                               |   |                           |        |                     |   |   | |     | |                                         |   | 
search RasMol script viewer Motif-ligand binding stats  ststaple ..| |   | |                                                                              | |                        ||                                         | |                                    ||                                                                                                         *****               |            ******                          *****                               *****                           |        |                     *****   | |     | |                                         ***** 
search RasMol script viewer Motif-ligand binding stats  stturn ..***   ***                                                                              ***                        ||                                         ***                                    ||                                                                                                                             |               ***                                                                                              |        |                             ***     ***                                               
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                  **                                                                                **                                                                                                                             *                                                                                                                *        *                                                                                       

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