triangle PDBeMotif: 3oot  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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Enzyme   3.4.23.15
Classification hydrolase    | release date: Tue, Aug 31, 2010
Title crystal structure analysis of renin-indole-piperazin inhibit complexes
Authors Z.BOCSKEI
Method X-RAY DIFFRACTION (resolution: 2.55Å)
PDBe Citation   
Small molecules:    search NAG NAG binding statistics NAG   search SSR SSR binding statistics SSR
Modified residues:  search ASN ASN binding statistics ASN
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:
LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELT
LRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSF
YYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIE
KLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFI
RKFYTEFDRRNNRIGFALAR
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 : RENIN
member of: GENE3D:searchG3DSA_2.40.70.10PANTHER:searchPTHR13683/searchPTHR13683_SF77PFAM:searchPF00026PRINTS:searchPEPSINPROSITE PATTERNS:searchPS00141, SUPERFAMILY:searchSSF50630UniProt:searchP00797
JMol viewer RasMol script viewer  SSR 327A  ..               *                * *                                            * *                                      *  *                                                                                                  * ***                                                                      *                                       
JMol viewer RasMol script viewer  NAG 367A  ..               |                | |                                    *       | |                     *                |  |                                                                                                  | |||                                                                      |                                       
sec str:  ......eeeeeeee...eeeeeeee....eeeeeeee.....eeee.......hhhhhhh...hhhhh...eeeeeeeeee....eeeeeeeeeeeee..eeeeeeeeeeee.hhhhhh.....eeee..hhhhhhhhh.hhhhhhhhh......eeeeee...........eeeee.......eeeeeeeee.......eeee..eee..........eeeee......eeehhhhhhhhhhhhh.ee....eeee..hhhhh..eeeee..eeeeehhhhhee........eeee.eee..........eeehhhhhhheeeeee....eeeeeee.
sequence :  ..GNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
seq num:  ..-2        8         18        28        38        46        56        66        76        86        96        107       117       127       137       147       157       163       173       183       193       203       213       223       233       244       254       264       274       280       290       300       310       320    
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..|^***|     | |||            | ||  |||| |  | | ||| ||| ||||    |  | ||| ^*** ||||  |    |         |    |     || | | |  | |        |  |           | ||||         | |    | |          |  |          |  |      |    |  |  |    |  ||||    || | ||     | |         |  || || |            | ||||| || | ||            |  |         |  | |  | || |       
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  alphabetamotif ..           | |||                  |||| |    | ||| ||*****|    |  |  |  | |     |                            || | | |  | |        |  |           | ||||         | |    | |          |  |          |  |              |  |       ||||     |   |      | |         *****  |              *****|| || | ||            |  |         |  |    | || |       
search RasMol script viewer Motif-ligand binding stats  asxturn ..           | |||                  ***| |    | ||| ||| || |    |  |  |  ***     |                            || | | |  | |        |  |           | ||||         | |    | |          |  |          |  |              |  |       ***|     |   |      | |         |  ||  |              | || || || | ||            |  |         |  |    ***| |       
search RasMol script viewer Motif-ligand binding stats  betabulge ..           | |||                  || | |    | ||| ||| || |    |  |  |          |                            ** | | |  | |        |  |           | ||||         | |    | |          |  |          |  |              |  |       || |     |   |      | |         |  ||  |              | || || || | ||            |  |         |  |       | |       
search RasMol script viewer Motif-ligand binding stats  betabulgeloop ..           *****                  || | |    | ||| ||| || |    |  |  |          |                               | | |  | |        |  |           | ||||         | |    | |          |  |          |  |              |  |       || |     |   |      | |         |  ||  |              | || || || | ||            |  |         |  |       | |       
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  stmotif ..                                  || |      | | | |                            |                                                                                                                                              ||       *****                                                 | | |                                               
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 B : RENIN
member of: GENE3D:searchG3DSA_2.40.70.10PANTHER:searchPTHR13683/searchPTHR13683_SF77PFAM:searchPF00026PRINTS:searchPEPSINPROSITE PATTERNS:searchPS00141, SUPERFAMILY:searchSSF50630UniProt:searchP00797
JMol viewer RasMol script viewer  SSR 327B  ..               *                * *                                            * *                                      *  *                                                                                                  * * *                                                                        *                                     
JMol viewer RasMol script viewer  NAG 367B  ..               |                | |                                    *       | |                     *                |  |                                                                                                  | | |                                                                        |                                     
sec str:  ......eeeeeeee...eeeeeeee....eeeeeeee.....eeee.......hhhhhh....hhhhh...eeeeeeeeee....eeeeeeeeeeeee..eeeeeeeeeeee.hhhhhh.....eeee..hhhhhhhhh.hhhhhhhhh......eeeeee...........eeeee.......eeeeeeeee.......eeee..eee..eeee....eeeee......eeehhhhhhhhhhhhh.ee....eeee..hhhhh..eeeee..eeeeehhhhhh.........eee..eee..........eeehhhhhhheeeeee....eeeeeee.
sequence :  ..GNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
seq num:  ..-2        8         18        28        38        46        56        66        76        86        96        107       117       127       137       147       157       163       173       183       193       203       213       223       233       244       254       264       274       280       290       300       310       320    
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..|^***|     | |||            | ||  |||| |  | | ||| ||| ||||   ||| | ||| ^*** ||||  |    |         |    |     || | | |  | |        |  |             ||||           | ||  |           |  |          |  |      |   ||| |  |    |  ||||    || | ||     | |            || || |            | || |   | | ||            |  |         |  | |  | || |       
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  alphabetamotif ..           | |||                  |||| |    | ||| ||*****|   ||| |  |  | |     |                            || | | |  | |        |  |             ||||           | ||  |           |  |          |  |          | | |  |       ||||     |   |      | |            || ||              | || |   | | ||            |  |         |  |    | || |       
search RasMol script viewer Motif-ligand binding stats  asxturn ..           | |||                  ***| |    | ||| ||| || |   *** |  |  ***     |                            || | | |  | |        |  |             ||||           | ||  |           |  |          |  |          | | |  |       ***|     |   |      | |            || ||              | || |   | | ||            |  |         |  |    ***| |       
search RasMol script viewer Motif-ligand binding stats  betabulge ..           | |||                  || | |    | ||| ||| || |    |  |  |          |                            ** | | |  | |        |  |             ||||           | ||  |           |  |          |  |          | | |  |       || |     |   |      | |            || ||              | || |   | | ||            |  |         |  |       | |       
search RasMol script viewer Motif-ligand binding stats  betabulgeloop ..           *****                  || | |    | ||| ||| || |    |  |  |          |                               | | |  | |        |  |             ||||           | ||  |           |  |          |  |          | | |  |       || |     |   |      | |            || ||              | || |   | | ||            |  |         |  |       | |       
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  stmotif ..                                  || |      | | | |                            |                                                                                                                                              ||       *****                                                   | |                                               
search RasMol script viewer Motif-ligand binding stats  stturn ..                                  || |      *** ***                            |                                                                                                                                              ||                                                               ***                                               
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                  ** *                                         *                                                                                                                                              **                                                                                                                 

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