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Enzyme   3.4.23.20
Classification hydrolase    | release date: Wed, Oct 7, 1998
Title acid proteinase (penicillopepsin) (e.c.3.4.23.20) complex wi phosphonate inhibitor: methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbut yl] hydroxyphosphinyloxy]-3-(3-aminomethyl) phenylpropanoate
Authors A.R.KHAN, J.C.PARRISH, M.E.FRASER, M.N.G, P.A.BARTLETT, W.W.SMITH
Method X-RAY DIFFRACTION (resolution: 0.95Å)
PDBe Citation   
Small molecules:    search MAN MAN binding statistics MAN   search SO4 SO4 binding statistics SO4   search PP7 PP7 binding statistics PP7   search GOL GOL binding statistics GOL
Modified residues:  search SER SER binding statistics SER search THR THR binding statistics THR
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS
ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ
QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS
NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA
PQA
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 : PROTEIN (PENICILLOPEPSIN)
member of: CATH:search2.40.70.10GENE3D:searchG3DSA_2.40.70.10PANTHER:searchPTHR13683/searchPTHR13683_SF255PFAM:searchPF00026PRINTS:searchPEPSINPROSITE PATTERNS:searchPS00141, SUPERFAMILY:searchSSF50630UniProt:searchP00798
JMol viewer RasMol script viewer  GOL 326A  ..                                                                         *                                                                                                                                                                                                                                                         
JMol viewer RasMol script viewer  GOL 325A  ..                                                                         |                                                                                                 *                                                                                                                                                       
JMol viewer RasMol script viewer  PP7 324A  ..              *                 * *                                      |*** *                               *         *                                                  |                                      * * **** *                                                     *                  *   *                          
JMol viewer RasMol script viewer  SO4 327A  ..              |                 | |                                      |||| |                               |         |                                                  |  *  **                               | | |||| |                                                     |                  |   |                          
JMol viewer RasMol script viewer  MAN 329A  ..    * *       |                 | |                                      |||| |                               |         |                                                  |  |  ||                               | | |||| |                                                     |                  |   |                          
JMol viewer RasMol script viewer  MAN 328A  .. ** | |       |                 | |                                      |||| |                               |         |                                                  |  |  ||                               | | |||| |                                                     |                  |   |                          
sec str:  .....eeeeeee.hhh..eeeeeee..eeeeeeee.....eee......hhhh.......hhhh........eeee.....eeeeeeeee.eee..eee..eeeeeeeee.hhhh......eeee...hhh..........hhhhhhhh....eeeee......eeeee....hhh.....eeee........eeee.eeee..eeee.eeeee......eee.hhhhhhhhhh....eee....eee.........eeeee..eeeee.hhhheeee......eee.eee......eee.hhhhhheeeeee....eeeeee..
sequence :  ..AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSSASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQQPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDSNAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFAPQA
seq num:  ..1         11        21        31        41        51        61        71        81        91        101       111       121       131       141       151       161       171       181       191       201       211       221       231       241       251       261       271       281       291       301       311          
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  MYRISTYL ..   ^***** |  | |      | ^*****  || |    | | ||  | || |   | || |  |  |     | |^*****         ^***** |     ||   || || || |  ^***** | |      ||  |||  |         |  |    |  | ||| |       ^***** |         |^*****   ^*****| |  |    |  ||  |  |  | ||||   |  | |               ^*****|         ^*****|^*****     |  |    | |          
search RasMol script viewer Motif-ligand binding stats  ASP_PROTEASE ..          |  | |      |  |   ***^******** | ||  | || |   | || |  |  |     | | |                 |  |     ||   || || || |      |  | |      ||  |||  |         |  |    |  | ||| |            | |         |  |      ***^********    |  ||  |  |  | ||||   |  | |                |  | |         | | |||||||       |  |    | |          
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..          |  | |      |  |      || |      | ||  | || |   | || |  |  |     | | |                 |  |     ||   || || || |      |  | |      |*****|  |         |  |    |  | ||| |            | |         |  |         || | |       *****  |  |  | ||||   |  | |                |  | |         | | |||||||       |  |    | |          
search RasMol script viewer Motif-ligand binding stats  asxmotif ..          |  | |      |  |      || |      | ||  | || |   | || |  |  |     | | |                 |  |     ||   || || || |      |  | |      ||  | |  |         |  |    |  | ||| |            | |         |  |         || | |       |  ||  |  |  *****|   |  | |                |  | |         | | |||||||       |  |    | |          
search RasMol script viewer Motif-ligand binding stats  asxturn ..          |  | |      |  |      || |      | ||  | || |   | || |  |  |     | ***                 |  |     ||   || |******      |  | |      ||  | |  |         |  |    |  | *** |            | |         |  |         || | |       |  ||  |  |  ***| |   |  | |                |  ***         | | |||||||       |  |    | |          
search RasMol script viewer Motif-ligand binding stats  betabulge ..          |  | |      |  |      || |      | ||  | || |   | || |  |  |     | | |                 |  |     **   || ||  |        |  | |      ||  | |  |         |  |    |  |  |  |            | |         |  |         || | |       |  ||  |  |     | |   |  | |                |  |           | | |||||||       |  |    | |          
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  ststaple ..                                || |      | |                             |                                                               *****                                                                     || |                                                                        | |                                
search RasMol script viewer Motif-ligand binding stats  stturn ..                                || |      ***                             |                                                                                                                                         || |                                                                        ***                                
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                ** *                                      *                                                                                                                                         ** *                                                                                                           

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