triangle PDBeMotif: 4k4q  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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Enzyme   3.4.23.16
Classification hydrolase/hydrolase inhibitor    | release date: Fri, Apr 12, 2013
Title tl-3 inhibited trp6ala hiv protease with 3-bromo-2,6-dimetho acid bound in flap site
Authors C.D.STOUT, T.TIEFENBRUNN
Method X-RAY DIFFRACTION (resolution: 1.80Å)
PDBe Citation   
Small molecules:    search DMS DMS binding statistics DMS   search NO3 NO3 binding statistics NO3   search 3TL 3TL binding statistics 3TL   search BME BME binding statistics BME   search 06B 06B binding statistics 06B
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:
PQITLAKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPT
PVNIIGRNLLTQIGCTLNF
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 : HIV-1 PROTEASE
member of: GENE3D:searchG3DSA_2.40.70.10PANTHER:searchPTHR10178PFAM:searchPF00077PFAMB:searchPB002522PROSITE PATTERNS:searchPS00141, PROSITE PROFILES:searchPS50175, SUPERFAMILY:searchSSF50630UniProt:searchP12499
JMol viewer RasMol script viewer  06B 104B  ..                                                    *                                              
JMol viewer RasMol script viewer  06B 103B  ..                                               *    |                                              
JMol viewer RasMol script viewer  3TL 108A  ..       *                * **** *             *****  |                           ** *               
JMol viewer RasMol script viewer  NO3 107A  ..       |   **           | |||| |             |||||  |           * **            || |               
JMol viewer RasMol script viewer  NO3 106A  ..       |   ||*          | |||| |             |||||  |           | ||            || |               
JMol viewer RasMol script viewer  NO3 105A  ..       |   |||          | |||* |            *|||||  |           | ||     * *    || |               
JMol viewer RasMol script viewer  DMS 104A  ..       |   |||          | |||| |            ||||||  *           | ||     | |    || |               
JMol viewer RasMol script viewer  BME 103A  ..       |  **||          | |||| |            ||||||  |           | *|     | |    || |               
JMol viewer RasMol script viewer  NO3 102A  ..       |  ||||          | |||| |            ||||||  ***         | ||     | |    || |               
JMol viewer RasMol script viewer  NO3 101A  ..       |  ||||          | |||| |         *  ||||||  ||| *       | ||     | |    || |               
sec str:  ...ee......eeeeee..eeeeeee.......ee.........eeeeeee..eeeeeeeeeeeeeee..eeeeeeeee.....eeehhhhhh....eee.
sequence :  ..PQITLAKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
seq num:  ..1         11        21        31        41        51        61        71        81        91       
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  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  ststaple ..                        ||                                                            *****        
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                        **                                                                         

chain B : HIV-1 PROTEASE
member of: GENE3D:searchG3DSA_2.40.70.10PANTHER:searchPTHR10178PFAM:searchPF00077PFAMB:searchPB002522PROSITE PATTERNS:searchPS00141, PROSITE PROFILES:searchPS50175, SUPERFAMILY:searchSSF50630UniProt:searchP12499
JMol viewer RasMol script viewer  DMS 105B  ..         ***                                                                                       
JMol viewer RasMol script viewer  06B 104B  ..       * |||                                                                    *                  
JMol viewer RasMol script viewer  06B 103B  ..       * |||                                                                    *                  
JMol viewer RasMol script viewer  06B 102B  ..       | |||                               **         ***                       |                  
JMol viewer RasMol script viewer  NO3 101B  ..       | |||       **                      ||         |||                       | *                
JMol viewer RasMol script viewer  3TL 108A  ..       * |||       ||   * ****             ||  *** *  |||                       **|*               
sec str:  ...ee......eeeeee..eeeeeee.......eee........eeeeeee..eeeeeeeeeeeeeee..eeeeeeeeee.....eehhhhhh....eee.
sequence :  ..PQITLAKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
seq num:  ..1         11        21        31        41        51        61        71        81        91       
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  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  ststaple ..                        ||                                                            *****        
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                        **                                                                         

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