triangle PDBeMotif: 4bbz  
  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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Classification hydrolase    | release date: Sun, Sep 30, 2012
Title structure of human butyrylcholinesterase inhibited by cbdp ( soak): cresyl-phosphoserine adduct
Authors E.CARLETTI, F.NACHON, G.SANTONI, J.-P.COLLETIER, L.M.SCHOPFER, M.WEIK, O.LOCKRIDGE, P.MASSON
Method X-RAY DIFFRACTION (resolution: 2.70Å)
PDBe Citation   
Small molecules:    search NAG NAG binding statistics NAG   search UNX UNX binding statistics UNX   search 4OJ 4OJ binding statistics 4OJ   search FUL FUL binding statistics FUL   search SO4 SO4 binding statistics SO4   search CL CL binding statistics CL
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
EDDIIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSE
MWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNP
EAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEAR
NRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVG
VNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFIC
PALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDQYTKAEEILSRSIVKRWANFAKYGNP
QETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV
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 : CHOLINESTERASE
JMol viewer RasMol script viewer  4OJ 1530A  ..                                                                                                                ***                                                                                *                                *                                                      * *                                        *                                                                    *                                       *                                                                                           
JMol viewer RasMol script viewer  CL 713A  ..                                          *                                                                     |||                                                                                |                                |                                                      | |                                        |                                                                    |                                       |                                                                                           
JMol viewer RasMol script viewer  SO4 704A  ..                                          |                                                                     |||                                                                                |                                |                                                      | |                                        |                                                                    |                                       |                                                 *                   *                     
JMol viewer RasMol script viewer  SO4 703A  ..                                          |                                                                     |||                                                                                |                                |                                                      | |                                        |                                                                    |                                       |                                                 |                   |     **              
JMol viewer RasMol script viewer  SO4 702A  ..                                          |                                                                     |||                                                                                |                                |                                                      | |                                        |                 *   *                                              |                                       |                                                 |                   |     ||              
JMol viewer RasMol script viewer  SO4 701A  ..                                          |                                                                     |||                                                                                |                                |                                                      | |                                  *     |                 |   |                                              |                     *                 |                                                 |                   |     |*              
JMol viewer RasMol script viewer  SO4 700A  ..                                          |                                                                     |||                                                                                |                                |                                                      | |                           *      |     |                 |   |                                              |              ***    |                 |                                                 |                   |     ||              
JMol viewer RasMol script viewer  NAG 590A  ..                                          |                                                                     |||                                                                                |                                |                        * *                           | |                           |      |     |                 |   |                                              |              |||    |                 |                                                 |                   |     ||              
JMol viewer RasMol script viewer  NAG 580A  ..                                          |                                                                     |||                                                                                |                                |                        | |                           | |                           |      |     |                 |   |                                              |              |||    |                 |                          *                   *  |                   |     ||              
JMol viewer RasMol script viewer  FUL 572A  ..                                          |                                                                     |||                                                                                |                                |                        | |                           | |                           |      |     |          *      |   |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  NAG 570A  ..                                          |                                                                     |||                                                                                |                                |                        | |                           | |                           |      |     |        * |*     |   |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  NAG 571A  ..                                          |                                                                     |||                                                                                |                                |                        | |                           | |                           |      |     |        | ||     | * |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  FUL 562A  ..                                          |                                                                     |||                                                                                |                                |             *   *      | |                   *       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  NAG 560A  ..                                          |                                                                     |||                                                                                |                                |     *   *   *   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  NAG 561A  ..                                          |                                                                     |||                                                                                |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  NAG 550A  ..                                          |                                                            *        |||                                                                      *         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  NAG 540A  ..           *                              |           *                                                |        |||                                                                      |         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  UNX 712A  ..           |                              |           |                                                |        |||                                                                      |         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  UNX 711A  ..           |                              |           |                                                |        |||                                                                      |         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  UNX 710A  ..           |                              |           |                                                |        |||                                                                      |         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  UNX 709A  ..           |                              |           |                                                |        |||                                                                      |         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  UNX 707A  ..           |                              |           |                                                |        |||                                                                      |         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  UNX 706A  ..           |                              |           |                                                |        |||                                                                      |         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
JMol viewer RasMol script viewer  UNX 705A  ..           |                              |           |                                                |        |||                                                                      |         |                                |     |   |   |   |      | |                   |       | |                           |      |     |        | ||     | | |                                              |              |||    |                 |                          |                   |  |                   |     ||              
sec str:  ....eeee..eeee.eeeee..eeeeeeeeee.....hhhhh............eee......ee..........hhhhhh......ee....eeeeeee......eeeeeee...........hhhhhhhhhhhhhh.eeeee....hhhhhh..........hhhhhhhhhhhhhhhhhhhhh.eeeeeeeeeeehhhhhhhhhhhhhhhhhhhh.eeeee...........hhhhhhhhhhhhhhhh.....hhhhhhhhhhh.hhhhhhhhhhhh......................hhhhhhhh.......eeeeee...hhhhhh..............hhhhhhhhhhhhh...hhhhhhhhhhhhh........hhhhhhhhhhhhhhhhhhhhhhhhhhhhh....eeeeee.........hhhhh.....hhhhhhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh....................eeeee......eee..hhhhhhhhhhhhhhh
sequence :  ..DIIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDQYTKAEEILSRSIVKRWANFAKYGNPQETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV
seq num:  ..3         13        23        33        43        53        63        73        83        93        103       113       123       133       143       153       163       173       183       193       203       213       223       233       243       253       263       273       283       293       303       313       323       333       343       353       363       373       383       393       403       413       423       433       443       453       463       473       483       493       503       513       523    
search RasMol script viewer Motif-ligand binding stats  PS00001 ..     | |||  |    | ||   |  |    |   | || |            ^***            |  |   |  |     |||| |     |     ^***      | |||||  || ||       | |           |  |    | |   | |              || ||||  ||     |||  |  || ||  || ||        |  || || |  || ^***  || ||||| ^***    |  |         |  |  || |||      ||||          | |                      |  || |^*** | |||       |  |        | | ||  ||||                    |   ||||| | |      | | | || | |  |   |||    | |  |  | ||  |                | |     ^***     |  | ||   | || |     | |            
search RasMol script viewer Motif-ligand binding stats  PS00004 ..     | |||  |    | ||   |  |    |   | || |                            |  |   |  |     |||| |     |               | |||||  || ||       | |           |  |    | |   | |              || ||||  ||     |||  |  || ||  || ||        |  || || |  ||   |   || ||||| | |     |  |         |  |  || |||      ||||          | |                      |  || ||||| | |||       |  |        | | ||  ||||                    |   |**^* | |      | | | || | |  |   |||    | |  |  | ||  |                | |              |  | ||   | || |     | |            
search RasMol script viewer Motif-ligand binding stats  PS00005 ..     | |||  |    | ||   |  |    |   | || |                            |  |   |  |     |||| |     |               | |||||  || ||       | |           |  |    | |   | |              || ||||  ||     |||  |  || ||  || ||        |  || || |  ||   |   || ||||| | |     |  |         |  |  || |||      ||||          | |                      |  || ||||| ^**||       |  |        | | ||  ||||                    |   ^**   | |      | | ^**| | |  |   |||    | |  |  | ||  |                | |              |  | ||   | |^**     | |            
search RasMol script viewer Motif-ligand binding stats  PS00006 ..     | |||  |    | ||   |  |    |   | || |                            |  |   |  |     |||| |     |               | |||||  || ||       | |           |  |    | |   | |              || ||||  ||     |||  |  || ||  || ||        |  || || ^***|   |   || ||||| | |     |  |         |  |  || |||      ||||          | |                      |  || ||||| ^***|       |  |        | | ||  ||||                    |   |     | |      | | | || | |  |   |||    | |  |  | |^***                | |              |  | ||   | |        | |            
search RasMol script viewer Motif-ligand binding stats  PS00007 ..     | |||  |    | ||   |  |    |   | || |                            |  |   |  |     |||| |     |               | |||||  || ||       | |           |  |    | |   | |              || ||||  ||     |||  |  || ||  || ||        |  || || |   |   |   || ||||| | |     |  |         |  |  || |||      ||||          | |                      |  || ||||| |   |       |  |        | | ||  ||||                    |   |     | |      | | | || | |  |   |||    | |  |  | |                    | |              ******^   | |        | |            
search RasMol script viewer Motif-ligand binding stats  PS00008 ..     | |||  ^***** ^*****  ^*****   | || |                            |  |   |  |     |||| |     |               ^*****|  || ||       | |           |  |    | |   | |              || ||^*****     |||  |  || ||  || ||        |  || || |   |   |   || ||||| | |     |  |         |  |  ^*****      ||||          | |                      |  || ||||| |   |       |  |        | | ||  ||||                    |   |     | |      | | | || | |  ^*****|    | |  |  | |                    | |                 | |    | |        | |            
search RasMol script viewer Motif-ligand binding stats  PS00122 ..     | |||       |  |               | || |                            |  |   |  |     |||| |     |               | ||| |  || ||       | |           |  |    | |   | |              || *************^**  |  || ||  || ||        |  || || |   |   |   || ||||| | |     |  |         |  |   | |||      ||||          | |                      |  || ||||| |   |       |  |        | | ||  ||||                    |   |     | |      | | | || | |  |   | |    | |  |  | |                    | |                 | |    | |        | |            
search RasMol script viewer Motif-ligand binding stats  PS00941 ..     | |||       |  |               | || |                            |  |   |  |     |**^********               | ||| |  || ||       | |           |  |    | |   | |              || ||||  |       |   |  || ||  || ||        |  || || |   |   |   || ||||| | |     |  |         |  |   | |||      ||||          | |                      |  || ||||| |   |       |  |        | | ||  ||||                    |   |     | |      | | | || | |  |   | |    | |  |  | |                    | |                 | |    | |        | |            
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 ..     | | |                          | || |                            |  |   |  |     | |***                       | | |  ||  |       | |           |  |          | |              |  | |           |   |   |  |   |  |        |  ||  | |   |   |   |  ||||| |       |  |         |  |   | |||      ||||          | |                      |  || ||||| |   |       |  |        | | ||  ||||                    |   |     | |      | | | || |        | |    | |  |  | |                    | |                 | |               | |            
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