triangle PDBeMotif: 2idw  
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Enzyme   3.4.23.16
Classification hydrolase    | release date: Fri, Sep 15, 2006
Title crystal structure analysis of hiv-1 protease mutant v82a wit non-peptide inhibitor (uic-94017)
Authors A.K.GHOSH, A.K.HUSSAIN, D.MANNA, I.T.WEBER, J.M.LOUIS, L.GADDIS, P.I.BOROSS, R.W.HARRISON, S.LES, Y.F.WANG, Y.TIE
Method X-RAY DIFFRACTION (resolution: 1.10Å)
PDBe Citation   
Small molecules:    search DMS DMS binding statistics DMS   search ACY ACY binding statistics ACY   search GOL GOL binding statistics GOL   search PO4 PO4 binding statistics PO4   search 017 017 binding statistics 017   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  ACY 603B  ..     *                                                                                             
JMol viewer RasMol script viewer  ACY 602B  ..     |                                                                                             
JMol viewer RasMol script viewer  017 401B  ..     |                * * ** * *              ***                               ** *               
JMol viewer RasMol script viewer  PO4 703B  ..     |                | | || | |              |||                               || |               
JMol viewer RasMol script viewer  GOL 801A  ..     |                | | || | |         * *  |||      **                       || |               
JMol viewer RasMol script viewer  ACY 605A  ..     |                | | || | |         | | *|||   * *||                       || |               
JMol viewer RasMol script viewer  ACY 601A  ..     |                | | || | |   **    | | ||||   | |||                       || |               
JMol viewer RasMol script viewer  DMS 901A  ..*    |                | | || | |   ||    | | ||||   | |||                       || |               
JMol viewer RasMol script viewer  PO4 704A  ..|    |             ** | | || | | * ||    | | ||||   | |||                       ||*|               
JMol viewer RasMol script viewer  PO4 702A  ..|    |             || | | || | | | || ** | | ||||   | |||                       ||||               
JMol viewer RasMol script viewer  PO4 701A  ..|    |       ****  || | | || | | | || || | | ||||   | |||                       ||||               
JMol viewer RasMol script viewer  CL 501A  ..|    |       ||||  || | | || | | | || || | | ||||   | |||               **      ||||   *           
sec str:  ...ee......eeeeee..eeeeeee......eeee........eeeeeee..eeeeeeeeeeeeeee..eeeeeeeeee.....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  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 : 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  ACY 606B  ..             *                                                  *                                  
JMol viewer RasMol script viewer  ACY 604B  ..         *** |      *                                           |                                  
JMol viewer RasMol script viewer  ACY 603B  ..         ||| |      |                                           |                         *  *     
JMol viewer RasMol script viewer  ACY 602B  ..         ||| |      |                           *               |                         |  |     
JMol viewer RasMol script viewer  017 401B  ..         ||| |      | * * ****                 ***              |                         |  |     
JMol viewer RasMol script viewer  PO4 703B  ..*        ||| |      | | | ||||                 |||              |   *                     |  |     
JMol viewer RasMol script viewer  DMS 901A  ..|        ||| |      | | | ||||                 |||              |   |                     |  |     
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  asxturn ..              |  |      ***|                              |  |   |  |        | |      |   | | |    
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  Catalytic site ..                        **                                                                         

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