triangle PDBeMotif: 2nmy  
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coner
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Enzyme   3.4.23.16
Classification hydrolase/hydrolase inhibitor    | release date: Mon, Oct 23, 2006
Title crystal structure analysis of hiv-1 protease mutant v82a wit inhibitor saquinavir
Authors A.K.GHOSH, A.Y.KOVALEVSKY, I.T.WEBER, J.TOZSER, P.BOROSS, R.W.HARRISON, Y.F.WANG, Y.TIE
Method X-RAY DIFFRACTION (resolution: 1.10Å)
PDBe Citation   
Small molecules:    search ROC ROC binding statistics ROC   search SO4 SO4 binding statistics SO4   search NA NA binding statistics NA   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
Chains A,B sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPT
PANIIGRNLLTQIGATLNF
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 : PROTEASE
member of: CATH:search2.40.70.10GENE3D:searchG3DSA_2.40.70.10PFAM:searchPF00077PROSITE PATTERNS:searchPS00141, PROSITE PROFILES:searchPS50175, SUPERFAMILY:searchSSF50630UniProt:searchQ7SSI0
JMol viewer RasMol script viewer  ROC 401A  ..       *                * * **                 ***                              *  *               
JMol viewer RasMol script viewer  SO4 504A  ..       |                | | ||               * |||  *                           |  |               
JMol viewer RasMol script viewer  NA 503A  ..       |                | | ||               | |||  |      *                    |  |               
JMol viewer RasMol script viewer  CL 502A  ..       |                | | ||               | |||  |      |            **      |  |   *           
sec str:  ...ee......eeeeee..eeeeeee.......ee.........eeeeeee..eeeeeeeeeeeeeee..eeeeeeeee......eehhhhhhhhh.eee.
sequence :  ..PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF
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  Catalytic site ..                        **                                                                         

chain B : PROTEASE
member of: CATH:search2.40.70.10GENE3D:searchG3DSA_2.40.70.10PFAM:searchPF00077PROSITE PATTERNS:searchPS00141, PROSITE PROFILES:searchPS50175, SUPERFAMILY:searchSSF50630UniProt:searchQ7SSI0
JMol viewer RasMol script viewer  CL 501B  ..                                                                                                   
JMol viewer RasMol script viewer  ROC 401A  ..       *              * * * **                 ***                              *  *               
sec str:  ...ee......eeeeee..eeeeeee.......ee.........eeeeeee..eeeeeeeeeeeeeee..eeeeeeeee......eehhhhhh....eee.
sequence :  ..PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF
seq num:  ..101       111       121       131       141       151       161       171       181       191      
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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