triangle PDBeMotif: 4h49  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
   Search  |  PDB header search  |  Upload PDB file  |  Molecule binding  |  Pair bonds  |  Motif binding  |  3D environment  |  Motif inclusion  
coner
AstexViewer TM
Download original PDB file
Download xml file
Download structure factors file
Enzyme   3.4.24.65
Classification hydrolase/hydrolase inhibitor    | release date: Mon, Sep 17, 2012
Title crystal structure of the catalytic domain of mmp-12 in compl twin inhibitor.
Authors A.ROSSELLO, C.ANTONI, E.A.STURA, E.CASSAR-LAJEUNESS, E.NUTI, L.CARAFA, L.VERA
Method X-RAY DIFFRACTION (resolution: 2.16Å)
PDBe Citation   
Small molecules:    search ZN ZN binding statistics ZN   search PGO PGO binding statistics PGO   search DMS DMS binding statistics DMS   search PEG PEG binding statistics PEG   search GOL GOL binding statistics GOL   search CA CA binding statistics CA   search L29 L29 binding statistics L29
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains A,B,C,D sequence:
MGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDDHAFDGKGGILAHA
FGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG
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 : MACROPHAGE METALLOELASTASE
member of: GENE3D:searchG3DSA_3.40.390.10PANTHER:searchPTHR10201/searchPTHR10201_SF32PFAM:searchPF00413PIRSF:searchPIRSF001191PRINTS:searchMATRIXINSMART:searchSM00235SUPERFAMILY:searchSSF55486UniProt:searchP39900
JMol viewer RasMol script viewer  PEG 607B  ..                                                                         **                                                                                    
JMol viewer RasMol script viewer  L29 601B  ..                                                                         ||***                               **  **  *     *      * ****                       
JMol viewer RasMol script viewer  PGO 309A  ..              *       *                                                  |||||                               ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  PEG 308A  ..              |**     *                                                  |||||                               ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  DMS 307A  ..              |||     |                                     *  *         |||||                               ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  PGO 306A  ..              |||     |                                     |**|         |||||                               ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  CA 305A  ..              |||     |                                     ||||      ** *|*||               *  *            ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  CA 304A  ..              |||  *  |                                     ||||      || |||||               |* |            ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  CA 303A  ..              |||  |  |                              *      ||||      || |||||       * * *   || |            ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  ZN 302A  ..              |||  |  |                              |      |||* *    || |||||*      | | | * || |            ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  ZN 301A  ..              |||  |  |                              |      |||| |    || ||||||      | | | | || |            ||  *|  *     *      | ||||                       
sec str:  ..........eeeeee.......hhhhhhhhhhhhhhhhhh....eeee.......eeeeee.................eee..........eeee....ee.....eehhhhhhhhhhhhh..........................hhhhhhhhhhhhh
sequence :  ..MGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG
seq num:  ..105       115       125       135       145       155       165       175       185       195       205       215       225       235       245       255      
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  ZINC_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  betaturn ..      | |        | ||               ||  | |                    |||||                 ||| |   ****                 | |****|  | *******      ****|               
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  ststaple ..                 | |                *****                                                                         |                |                           
search RasMol script viewer Motif-ligand binding stats  stturn ..                 ***                                                                                              |                |                           
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                  *                *                           

chain B : MACROPHAGE METALLOELASTASE
member of: GENE3D:searchG3DSA_3.40.390.10PANTHER:searchPTHR10201/searchPTHR10201_SF32PFAM:searchPF00413PIRSF:searchPIRSF001191PRINTS:searchMATRIXINSMART:searchSM00235SUPERFAMILY:searchSSF55486UniProt:searchP39900
JMol viewer RasMol script viewer  GOL 608B  ..                                                                                                                                      * * *                    
JMol viewer RasMol script viewer  PEG 607B  ..                                                                                                                                      |***|                    
JMol viewer RasMol script viewer  CA 606B  ..                                                                      ** * *                 *  *                                     |||||                    
JMol viewer RasMol script viewer  CA 605B  ..                   *                                                  || | |                 |* *                                     |||||                    
JMol viewer RasMol script viewer  CA 604B  ..                   |                                 *                || | |         * * *   || |                                     |||||                    
JMol viewer RasMol script viewer  ZN 603B  ..                   |                                 |         * *    || | |  *      | | | * || |                                     |||||                    
JMol viewer RasMol script viewer  ZN 602B  ..                   |                                 |         | |    || | |  |      | | | | || |                *   *     *          |||||                    
JMol viewer RasMol script viewer  L29 601B  ..                   |                                 |         | |    || | ***|      | | | | || |            **  **  *     *      * ****|||                    
sec str:  ..........eeeeee.......hhhhhhhhhhhhhhhhhh....eeee.......eeeeee.................eee..........eeee....ee.....eehhhhhhhhhhhhh..........................hhhhhhhhhh...
sequence :  ..MGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG
seq num:  ..105       115       125       135       145       155       165       175       185       195       205       215       225       235       245       255      
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  ZINC_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  betaturn ..    | | |        | ||            |  ||  | |                                          |****   |  |                 | |****|  | *******       |  |         ****| 
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  ststaple ..                 | |             ********                                                                         |                |                           
search RasMol script viewer Motif-ligand binding stats  stturn ..                 ***                                                                                              |                |                           
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                  *                *                           

Assembly 2     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 C : MACROPHAGE METALLOELASTASE
member of: GENE3D:searchG3DSA_3.40.390.10PANTHER:searchPTHR10201/searchPTHR10201_SF32PFAM:searchPF00413PIRSF:searchPIRSF001191PRINTS:searchMATRIXINSMART:searchSM00235SUPERFAMILY:searchSSF55486UniProt:searchP39900
JMol viewer RasMol script viewer  PEG 307C  ..        *                  *  *          * *                                                                                                                
JMol viewer RasMol script viewer  L29 306C  ..        |                  |  |          | |                            ***                               **  **  *     *      * ****                       
JMol viewer RasMol script viewer  CA 305C  ..        |                  |  |          | |                       ** * *||               *  *            ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  CA 304C  ..        |       *          |  |          | |                       || | |||               |* *            ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  CA 303C  ..        |       |          |  |          | |      *                || | |||       * * *   || |            ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  ZN 302C  ..        |       |          |  |          | |      |         * *    || | |||*      | | | * || |            ||  ||  |     |      | ||||                       
JMol viewer RasMol script viewer  ZN 301C  ..        |       |          |  |          | |      |         | |    || | ||||      | | | | || |            ||  *|  *     *      | ||||                       
sec str:  .......eeeeee.......hhhhhhhhhhhhhhhhhh....eeee.......eeeeee.................eee..........eeee....ee.....eehhhhhhhhhhhhh..........................hhhhhhhhhhhh.
sequence :  ..VWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG
seq num:  ..108       118       128       138       148       158       168       178       188       198       208       218       228       238       248       258   
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  ZINC_PROTEASE ..              | ||               ||  | |         | |         ||||                 ||| |   |  |             ***^^**^**||  | | || ||      || ||  |   |   |  | 
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  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 ..                                                                                                               *                *                           

chain D : MACROPHAGE METALLOELASTASE
member of: GENE3D:searchG3DSA_3.40.390.10PANTHER:searchPTHR10201/searchPTHR10201_SF32PFAM:searchPF00413PIRSF:searchPIRSF001191PRINTS:searchMATRIXINSMART:searchSM00235SUPERFAMILY:searchSSF55486UniProt:searchP39900
JMol viewer RasMol script viewer  PEG 306D  ..   ****                                                                            *                                                                           
JMol viewer RasMol script viewer  CA 305D  ..   ||||                                                               ** * *       |         *  *                                                              
JMol viewer RasMol script viewer  CA 304D  ..   ||||            *                                                  || | |       |         |* *                                                              
JMol viewer RasMol script viewer  CA 303D  ..   ||||            |                                 *                || | |       | * * *   || |                                                              
JMol viewer RasMol script viewer  ZN 302D  ..   ||||            |                                 |         * *    || | |  *    | | | | * || |                                                              
JMol viewer RasMol script viewer  ZN 301D  ..   ||||            |                                 |         | |    || | |  |    | | | | | || |                *   *     *                                   
JMol viewer RasMol script viewer  L29 306C  ..   ||||            |                                 |         | |    || | ***|    | | | | | || |            **  **  *     *      * ****                       
sec str:  ..........eeeeee.......hhhhhhhhhhhhhhhhhh....eeee.......eeeeee.................eee..........eeee....ee.....eehhhhhhhhhhhhh...................hhhhh..hhhhhhhhhhhh.
sequence :  ..MGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG
seq num:  ..105       115       125       135       145       155       165       175       185       195       205       215       225       235       245       255      
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  ZINC_PROTEASE ..      | |        | ||               || || |                    |||||                 ||| |   |  |  | | |      ***^^**^**||  | |  | ||      || ||          |  | 
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  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  ststaple ..                 | |                *****                                                          | |            |         | |    |                           
search RasMol script viewer Motif-ligand binding stats  stturn ..                 ***                                                                               ***            |         ***    |                           
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                  *                *                           

   New search    4h49:  Sequences  |  3D motifs  |  Ligand environment  |   Ligand bonds   |  SPICE view  |  PDB  |  XML  |  Structure factors