triangle PDBeMotif: 4hma  
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Enzyme   3.4.24.35
Classification hydrolase/hydrolase inhibitor    | release date: Thu, Oct 18, 2012
Title crystal structure of an mmp twin carboxylate based inhibitor complex with the mmp-9 catalytic domain
Authors A.ROSSELLO, C.ANTONI, E.A.STURA, E.CASSAR-LAJEUNESS, E.NUTI, L.CARAFA, L.VERA
Method X-RAY DIFFRACTION (resolution: 1.94Å)
PDBe Citation   
Small molecules:    search ZN ZN binding statistics ZN   search PGO PGO binding statistics PGO   search PEG PEG binding statistics PEG   search 0ZD 0ZD binding statistics 0ZD   search MLT MLT binding statistics MLT   search GOL GOL binding statistics GOL   search CA CA binding statistics CA
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains A,B sequence:
FEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLA
HAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYG
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 : MATRIX METALLOPROTEINASE-9
member of: GENE3D:searchG3DSA_2.10.10.10/searchG3DSA_3.40.390.10PANTHER:searchPTHR10201/searchPTHR10201_SF30PFAM:searchPF00040/searchPF00413PRINTS:searchFNTYPEII/searchMATRIXINPROSITE PATTERNS:searchPS00023, PROSITE PROFILES:searchPS51092, SMART:searchSM00059/searchSM00235SUPERFAMILY:searchSSF55486/searchSSF57440UniProt:searchP14780
JMol viewer RasMol script viewer  PEG 317A  ..                                                                          *                        *                                                            
JMol viewer RasMol script viewer  PEG 316A  ..                                                                          |                        |                                                            
JMol viewer RasMol script viewer  PEG 315A  ..                                               *                          |                        |                                                            
JMol viewer RasMol script viewer  PEG 314A  ..                                               |                          |                        |                                                            
JMol viewer RasMol script viewer  PEG 313A  ..                                               |                          |              *         |                                                            
JMol viewer RasMol script viewer  PGO 312A  ..                                               |                          |              |         |       **                                                   
JMol viewer RasMol script viewer  PGO 311A  ..                                               |                          |              |       * |       ||                                                   
JMol viewer RasMol script viewer  PGO 310A  .. *  *                                          |                          |              |       | |       ||              * *                                  
JMol viewer RasMol script viewer  GOL 308A  ..*|  |                                          |                          |              |       | |       ||              | |                              *   
JMol viewer RasMol script viewer  GOL 307A  ..||  |                                          |                     *    |  *  *        |       | |       ||              | |                              |   
JMol viewer RasMol script viewer  0ZD 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.......hhhhhhhhhhhhhhhhhhhh..eeee.......eeeeee.................eee..........eeee....ee......eehhhhhhhhhhhhh........................hhhhhhhhhhhhh
sequence :  ..FEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYG
seq num:  ..110       120       130       140       150       160       170       180       190       200       210       220       230       240       250       260       
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..        | ^***   ^***||               ||  | |      | ||          |||||                 ||| |   | ||      |   |||     | || |||  ||| || ||     | || |             
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  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 : MATRIX METALLOPROTEINASE-9
member of: GENE3D:searchG3DSA_2.10.10.10/searchG3DSA_3.40.390.10PANTHER:searchPTHR10201/searchPTHR10201_SF30PFAM:searchPF00040/searchPF00413PRINTS:searchFNTYPEII/searchMATRIXINPROSITE PATTERNS:searchPS00023, PROSITE PROFILES:searchPS51092, SMART:searchSM00059/searchSM00235SUPERFAMILY:searchSSF55486/searchSSF57440UniProt:searchP14780
JMol viewer RasMol script viewer  PEG 513B  ..                                                                                                                                                     *  **  *   
JMol viewer RasMol script viewer  PGO 511B  ..                                                                                                                                *                    |  ||  |   
JMol viewer RasMol script viewer  PGO 509B  ..                                                                                                                                |              **    |  ||  |   
JMol viewer RasMol script viewer  GOL 508B  ..                                                                                                                                |              ||    |  ||  |   
JMol viewer RasMol script viewer  MLT 506B  ..                                                                                                                                |  *         * ||* * |  ||  |   
JMol viewer RasMol script viewer  CA 505B  ..                     *                                                                          * *                             |  |         | ||| | |  ||  |   
JMol viewer RasMol script viewer  CA 504B  ..                     |                                                  ** * *                 **                             |  |         | ||| | |  ||  |   
JMol viewer RasMol script viewer  CA 503B  ..                     |                                 *                || | |         *   *   || |                             |  |         | ||| | |  ||  |   
JMol viewer RasMol script viewer  ZN 502B  ..                     |                                 |         * *    || | |  *      |   | * || |                             |  |         | ||| | |  ||  |   
JMol viewer RasMol script viewer  ZN 501B  ..                     |                                 |         | |    || | |  |      |   | | || |                 *   *     * |  |         | ||| | |  ||  |   
JMol viewer RasMol script viewer  PEG 316A  ..                     |                                 |         | |    || | |  |      |   | | || |                 |   |     | |  |         | ||| | |  ||  |   
JMol viewer RasMol script viewer  GOL 307A  ..                     |                                 |         | |    || | |  |      |   | | || |                 |   |     | | *|   *     | ||| | |  ||  |   
JMol viewer RasMol script viewer  0ZD 306A  ..                     |                                 |         | |    || | ***|      |   | | || |             **  **  *     * | || * ****  | ||| | |  ||  |   
sec str:  ............eeeeee.......hhhhhhhhhhhhhhhhhhh...eeee.......eeeeee.................eee..........eeee....ee......eehhhhhhhhhhhhhh.......................hhhhhhhhhhhhh
sequence :  ..FEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYG
seq num:  ..110       120       130       140       150       160       170       180       190       200       210       220       230       240       250       260       
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..        | ^***   ^***||               ||  | |      | ||          |||||                 ||| |   |  |      |    |      | || |||  ||| || ||     | || |             
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  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 ..                                                                                                                     *                *                         

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