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Enzyme   2.7.11.1
Classification transferase/transferase inhibitor    | release date: Wed, Mar 6, 2013
Title x-ray crystal structure of archaeoglobus fulgidus rio1 bound n-benzyl-2-cyano-3-(pyridine-4-yl)acrylamide (wp1086)
Authors B.KIER, B.LESYNG, I.FOKT, I.KIBURU, K.GRZELAK, K.KOWA, K.KRAWIEC, M.MIELECKI, N.LARONDE-LEBLANC, S.PIOTR, S.SZYMANSKI, W.PRIEBE, W.SZEJA, Z.WLODZIMIERZ
Method X-RAY DIFFRACTION (resolution: 2.10Å)
PDBe Citation   
Small molecules:    search 1L7 1L7 binding statistics 1L7
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
MKDLKKIESYLDKLRIKEKDGEERKIYAEVLDGRTLKTLYKLSAKGYITAMGGVISTGKEANVFYADGVFDGKPVAMAVK
IYRIETSEFDKMDEYLYGDERFDMRRISPKEKVFIWTEKEFRNLERAKEAGVSVPQPYTYMKNVLLMEFIGEDELPAPTL
VELGRELKELDVEGIFNDVVENVKRLYQEAELVHADLSEYNIMYIDKVYFIDMGQAVTLRHPMAESYLERDVRNIIRFFS
KYGVKADFEEMLKEVKGE
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 : RIO-TYPE SERINE/THREONINE-PROTEIN KINASE RIO1
member of: GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20PANTHER:searchPTHR10593/searchPTHR10593_SF13PFAM:searchPF01163PFAMB:searchPB002110/searchPB003089PROSITE PATTERNS:searchPS01245, PROSITE PROFILES:searchPS50011, SMART:searchSM00090SUPERFAMILY:searchSSF56112UniProt:searchO28471
JMol viewer RasMol script viewer  1L7 301A  ..                                                  **    *                * *                                                      *           * **                                                            **                                              
sec str:  .......hhhhh.....hhhhhhhhhhhhhhhhhhhhhhhhhh..eeeeeeeee....eeeeeeeeee..eeeeeeeeee.......hhhhhh.......hhhhhhhhhhhhhhhhhhhhhhhhhhhh......eeeee..eeeee..ee..ee..hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh..eee.......eee...eee.....eee....hhhhhhhhhhhhhhhhhhh.....hhhhhhhhhhh.
sequence :  ..KKIESYLDKLRIKEKDGEERKIYAEVLDGRTLKTLYKLSAKGYITAMGGVISTGKEANVFYADGVFDGKPVAMAVKIYRIETSEFDKMDEYLYGDERFDMRRISPKEKVFIWTEKEFRNLERAKEAGVSVPQPYTYMKNVLLMEFIGEDELPAPTLVELGRELKELDVEGIFNDVVENVKRLYQEAELVHADLSEYNIMYIDKVYFIDMGQAVTLRHPMAESYLERDVRNIIRFFSKYGVKADFEEMLKEVKGE
seq num:  ..5         15        25        35        45        55        65        75        85        95        105       115       125       135       145       155       165       175       185       195       205       215       225       235       245       255 
search RasMol script viewer Motif-ligand binding stats  CAMP_PHOSPHO_SITE ..    | || |    |       ||  || |||| |   | |||||| |  |||||||      |    |         | | |  ||||| || | || |**^* || |   | ||       | |||     ||                   |  |   |  |||||                | |   | ||| |||         |   ||||  | |  |         || |||           | |
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  TYR_PHOSPHO_SITE ..    | |  |    ********^|  || | |  |   | |||||| |  ||||  |      |    |         | |    |******^ | || |  ||  | |   |          | |||     ||                          |  |||||                | |   | ||| |||         |   || |  |              || |||           | |
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..    | |  |             |  || | |  |   | |||||| ^*****|  |      ^*****         | |    | ||| || | || |  ||  | |   |          | |||     ||                          |  |||||                | |   | ||| |||         ^***** |  |              || |||           | |
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_TYR ..    | |  |             |  || | |  |   | ||||||    || |  |                     | |    | ||| || | || |  ||  | |   |          | |||     ||                          |  |||||                | ****^********             |  |  |              || |||           | |
search RasMol script viewer Motif-ligand binding stats  RIO1 ..    | |  |             |  || | |  |   | ||||||    || |  |                     | |    | ||| || | || |  ||  | |   |          | |||     ||                          |  |||||                | ************              |  |  |              || |||           | |
search RasMol script viewer Motif-ligand binding stats  asxmotif ..    | |  |             |  |*****  |   | ||||||    || |  |                     | |    | ||| || | || |  ||  | |   |          | |||     ||                          |  |||||                | |     ||| |               |  |  |              || |||           | |
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  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 ..    ***                                                                                                                                                                                          ***                                                          

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